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University of Illinois – Urbana-Champaign

1.
Wang, Fei.
Quantum-classical and *semiclassical* path integral methods for condensed phase * dynamics*.

Degree: PhD, Chemistry, 2018, University of Illinois – Urbana-Champaign

URL: http://hdl.handle.net/2142/102468

► Chemical *dynamics* are essentially quantum mechanical processes. A great variety of chemical processes such as electron transfer and energy relaxation occur in condensed phase, reactants…
(more)

Subjects/Keywords: path integral; semiclassical; condensed phase dynamics

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APA (6^{th} Edition):

Wang, F. (2018). Quantum-classical and semiclassical path integral methods for condensed phase dynamics. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/102468

Chicago Manual of Style (16^{th} Edition):

Wang, Fei. “Quantum-classical and semiclassical path integral methods for condensed phase dynamics.” 2018. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed October 18, 2019. http://hdl.handle.net/2142/102468.

MLA Handbook (7^{th} Edition):

Wang, Fei. “Quantum-classical and semiclassical path integral methods for condensed phase dynamics.” 2018. Web. 18 Oct 2019.

Vancouver:

Wang F. Quantum-classical and semiclassical path integral methods for condensed phase dynamics. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2018. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/2142/102468.

Council of Science Editors:

Wang F. Quantum-classical and semiclassical path integral methods for condensed phase dynamics. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2018. Available from: http://hdl.handle.net/2142/102468

University of California – Berkeley

2.
Swenson, David William Howey.
Quantum Effects from Classical Trajectories: New Methodologies and Applications for *Semiclassical* * Dynamics*.

Degree: Chemistry, 2011, University of California – Berkeley

URL: http://www.escholarship.org/uc/item/99z8g8w8

► *Semiclassical* approaches to chemical *dynamics* show great promise as methods to obtain practical results for a wide range of problems. In this dissertation we make…
(more)

Subjects/Keywords: Chemistry; Physical chemistry; Physics; molecular electronics; semiclassical dynamics

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APA (6^{th} Edition):

Swenson, D. W. H. (2011). Quantum Effects from Classical Trajectories: New Methodologies and Applications for Semiclassical Dynamics. (Thesis). University of California – Berkeley. Retrieved from http://www.escholarship.org/uc/item/99z8g8w8

Note: this citation may be lacking information needed for this citation format:

Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^{th} Edition):

Swenson, David William Howey. “Quantum Effects from Classical Trajectories: New Methodologies and Applications for Semiclassical Dynamics.” 2011. Thesis, University of California – Berkeley. Accessed October 18, 2019. http://www.escholarship.org/uc/item/99z8g8w8.

Note: this citation may be lacking information needed for this citation format:

Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^{th} Edition):

Swenson, David William Howey. “Quantum Effects from Classical Trajectories: New Methodologies and Applications for Semiclassical Dynamics.” 2011. Web. 18 Oct 2019.

Vancouver:

Swenson DWH. Quantum Effects from Classical Trajectories: New Methodologies and Applications for Semiclassical Dynamics. [Internet] [Thesis]. University of California – Berkeley; 2011. [cited 2019 Oct 18]. Available from: http://www.escholarship.org/uc/item/99z8g8w8.

Note: this citation may be lacking information needed for this citation format:

Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Swenson DWH. Quantum Effects from Classical Trajectories: New Methodologies and Applications for Semiclassical Dynamics. [Thesis]. University of California – Berkeley; 2011. Available from: http://www.escholarship.org/uc/item/99z8g8w8

Not specified: Masters Thesis or Doctoral Dissertation

University of Oregon

3.
Kovac, Philip.
Exploring time-dependent approaches towards the calculation of *dynamics* and spectroscopic signals: A mixed quantum/*semiclassical* wave packet method and the theory of transient absorption and femtosecond stimulated Raman scattering.

Degree: 2018, University of Oregon

URL: http://hdl.handle.net/1794/23124

► We present a time-dependent mixed quantum/*semiclassical* approach to calculating linear absorption spectra. Applying Variational Fixed Vibrational Basis/Gaussian Bath theory (FVB/GB) to the treatment of small…
(more)

Subjects/Keywords: Gaussian wave packets; Mixed quantum/semiclassical dynamics; Optical spectroscopy signals

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APA (6^{th} Edition):

Kovac, P. (2018). Exploring time-dependent approaches towards the calculation of dynamics and spectroscopic signals: A mixed quantum/semiclassical wave packet method and the theory of transient absorption and femtosecond stimulated Raman scattering. (Thesis). University of Oregon. Retrieved from http://hdl.handle.net/1794/23124

Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^{th} Edition):

Kovac, Philip. “Exploring time-dependent approaches towards the calculation of dynamics and spectroscopic signals: A mixed quantum/semiclassical wave packet method and the theory of transient absorption and femtosecond stimulated Raman scattering.” 2018. Thesis, University of Oregon. Accessed October 18, 2019. http://hdl.handle.net/1794/23124.

Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^{th} Edition):

Kovac, Philip. “Exploring time-dependent approaches towards the calculation of dynamics and spectroscopic signals: A mixed quantum/semiclassical wave packet method and the theory of transient absorption and femtosecond stimulated Raman scattering.” 2018. Web. 18 Oct 2019.

Vancouver:

Kovac P. Exploring time-dependent approaches towards the calculation of dynamics and spectroscopic signals: A mixed quantum/semiclassical wave packet method and the theory of transient absorption and femtosecond stimulated Raman scattering. [Internet] [Thesis]. University of Oregon; 2018. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1794/23124.

Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Kovac P. Exploring time-dependent approaches towards the calculation of dynamics and spectroscopic signals: A mixed quantum/semiclassical wave packet method and the theory of transient absorption and femtosecond stimulated Raman scattering. [Thesis]. University of Oregon; 2018. Available from: http://hdl.handle.net/1794/23124

Not specified: Masters Thesis or Doctoral Dissertation

University of Texas – Austin

4.
Xiong, Bangguo.
Toward a geometric theory of magnetization *dynamics* : electronic contribution in the *semiclassical* approach.

Degree: PhD, Physics, 2019, University of Texas – Austin

URL: http://dx.doi.org/10.26153/tsw/2270

► This dissertation presents theoretical studies of the magnetization *dynamics* in ferromagnetic materials. To give a general description of the influences of electric fields or currents…
(more)

Subjects/Keywords: Magnetization dynamics; Spin-orbital torques; Spin-transfer torques; Semiclassical theory

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APA (6^{th} Edition):

Xiong, B. (2019). Toward a geometric theory of magnetization dynamics : electronic contribution in the semiclassical approach. (Doctoral Dissertation). University of Texas – Austin. Retrieved from http://dx.doi.org/10.26153/tsw/2270

Chicago Manual of Style (16^{th} Edition):

Xiong, Bangguo. “Toward a geometric theory of magnetization dynamics : electronic contribution in the semiclassical approach.” 2019. Doctoral Dissertation, University of Texas – Austin. Accessed October 18, 2019. http://dx.doi.org/10.26153/tsw/2270.

MLA Handbook (7^{th} Edition):

Xiong, Bangguo. “Toward a geometric theory of magnetization dynamics : electronic contribution in the semiclassical approach.” 2019. Web. 18 Oct 2019.

Vancouver:

Xiong B. Toward a geometric theory of magnetization dynamics : electronic contribution in the semiclassical approach. [Internet] [Doctoral dissertation]. University of Texas – Austin; 2019. [cited 2019 Oct 18]. Available from: http://dx.doi.org/10.26153/tsw/2270.

Council of Science Editors:

Xiong B. Toward a geometric theory of magnetization dynamics : electronic contribution in the semiclassical approach. [Doctoral Dissertation]. University of Texas – Austin; 2019. Available from: http://dx.doi.org/10.26153/tsw/2270

University of Alberta

5.
Wong, Stephanie Y Y.
Ab initio *Semiclassical* Initial Value Representation:
Development of New Methods.

Degree: PhD, Department of Chemistry, 2013, University of Alberta

URL: https://era.library.ualberta.ca/files/3484zk780

► Between the world of classical and quantum mechanics there lies a region where both are used to provide an accurate (quantum) but computationally tractable (classical)…
(more)

Subjects/Keywords: ab initio; molecular dynamics; quantum dynamics; SC-IVR; photochemistry; vibrational states; electronic structure; vibrational energies; semiclassical initial value representation; classical mechanics; direct dynamics; semiclassical dynamics

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APA (6^{th} Edition):

Wong, S. Y. Y. (2013). Ab initio Semiclassical Initial Value Representation: Development of New Methods. (Doctoral Dissertation). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/3484zk780

Chicago Manual of Style (16^{th} Edition):

Wong, Stephanie Y Y. “Ab initio Semiclassical Initial Value Representation: Development of New Methods.” 2013. Doctoral Dissertation, University of Alberta. Accessed October 18, 2019. https://era.library.ualberta.ca/files/3484zk780.

MLA Handbook (7^{th} Edition):

Wong, Stephanie Y Y. “Ab initio Semiclassical Initial Value Representation: Development of New Methods.” 2013. Web. 18 Oct 2019.

Vancouver:

Wong SYY. Ab initio Semiclassical Initial Value Representation: Development of New Methods. [Internet] [Doctoral dissertation]. University of Alberta; 2013. [cited 2019 Oct 18]. Available from: https://era.library.ualberta.ca/files/3484zk780.

Council of Science Editors:

Wong SYY. Ab initio Semiclassical Initial Value Representation: Development of New Methods. [Doctoral Dissertation]. University of Alberta; 2013. Available from: https://era.library.ualberta.ca/files/3484zk780

University of Illinois – Urbana-Champaign

6.
Chen, Jonathan E.
Theoretical methods for the study of quantum * dynamics*.

Degree: PhD, 0337, 2010, University of Illinois – Urbana-Champaign

URL: http://hdl.handle.net/2142/16094

► Several theoretical methods for the computation of quantum dynamical quantities are formulated, implemented, and applied, in the overall context of overcoming the exponential scaling property…
(more)

Subjects/Keywords: quantum dynamics; correlation functions; semiclassical approximation; quantum trajectories; Bohmian trajectories; Monte Carlo; forward-backward semiclassical dynamics; forward-backward quantum dynamics; sign problem; Hamilton's law of varying action

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^{th} Edition):

Chen, J. E. (2010). Theoretical methods for the study of quantum dynamics. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/16094

Chicago Manual of Style (16^{th} Edition):

Chen, Jonathan E. “Theoretical methods for the study of quantum dynamics.” 2010. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed October 18, 2019. http://hdl.handle.net/2142/16094.

MLA Handbook (7^{th} Edition):

Chen, Jonathan E. “Theoretical methods for the study of quantum dynamics.” 2010. Web. 18 Oct 2019.

Vancouver:

Chen JE. Theoretical methods for the study of quantum dynamics. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2010. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/2142/16094.

Council of Science Editors:

Chen JE. Theoretical methods for the study of quantum dynamics. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2010. Available from: http://hdl.handle.net/2142/16094

7.
G. DI LIBERTO.
NEW *SEMICLASSICAL* THEORIES FOR VIBRATIONAL SPECTROSCOPY.

Degree: 2019, Università degli Studi di Milano

URL: http://hdl.handle.net/2434/612134

► The main goal of this doctoral work was to develop theoretical advances of the *semiclassical* theory applied to molecular spectroscopy. In particular, the attention was…
(more)

Subjects/Keywords: Semiclassical; Vibrational Spectroscopy; Divide and Conquer; Molecular dynamics; Settore CHIM/02 - Chimica Fisica

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APA (6^{th} Edition):

LIBERTO, G. D. (2019). NEW SEMICLASSICAL THEORIES FOR VIBRATIONAL SPECTROSCOPY. (Thesis). Università degli Studi di Milano. Retrieved from http://hdl.handle.net/2434/612134

Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^{th} Edition):

LIBERTO, G. DI. “NEW SEMICLASSICAL THEORIES FOR VIBRATIONAL SPECTROSCOPY.” 2019. Thesis, Università degli Studi di Milano. Accessed October 18, 2019. http://hdl.handle.net/2434/612134.

Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^{th} Edition):

LIBERTO, G. DI. “NEW SEMICLASSICAL THEORIES FOR VIBRATIONAL SPECTROSCOPY.” 2019. Web. 18 Oct 2019.

Vancouver:

LIBERTO GD. NEW SEMICLASSICAL THEORIES FOR VIBRATIONAL SPECTROSCOPY. [Internet] [Thesis]. Università degli Studi di Milano; 2019. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/2434/612134.

Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

LIBERTO GD. NEW SEMICLASSICAL THEORIES FOR VIBRATIONAL SPECTROSCOPY. [Thesis]. Università degli Studi di Milano; 2019. Available from: http://hdl.handle.net/2434/612134

Not specified: Masters Thesis or Doctoral Dissertation

EPFL

8.
Wehrle, Marius.
Evaluation and analysis of vibrationally resolved electronic spectra with ab initio *semiclassical* * dynamics*.

Degree: 2015, EPFL

URL: http://infoscience.epfl.ch/record/212705

► Linear and nonlinear spectroscopy techniques are widely used to study numerous important chemical and physical processes. However, the interpretation of these experimental spectra often becomes…
(more)

Subjects/Keywords: on-the-fly ab initio semiclassical dynamics; accelerating quantum dynamics; split-operator method; linear spectroscopy; oligothiophene; ammonia; thawed Gaussian approximation

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APA (6^{th} Edition):

Wehrle, M. (2015). Evaluation and analysis of vibrationally resolved electronic spectra with ab initio semiclassical dynamics. (Thesis). EPFL. Retrieved from http://infoscience.epfl.ch/record/212705

Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^{th} Edition):

Wehrle, Marius. “Evaluation and analysis of vibrationally resolved electronic spectra with ab initio semiclassical dynamics.” 2015. Thesis, EPFL. Accessed October 18, 2019. http://infoscience.epfl.ch/record/212705.

Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^{th} Edition):

Wehrle, Marius. “Evaluation and analysis of vibrationally resolved electronic spectra with ab initio semiclassical dynamics.” 2015. Web. 18 Oct 2019.

Vancouver:

Wehrle M. Evaluation and analysis of vibrationally resolved electronic spectra with ab initio semiclassical dynamics. [Internet] [Thesis]. EPFL; 2015. [cited 2019 Oct 18]. Available from: http://infoscience.epfl.ch/record/212705.

Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Wehrle M. Evaluation and analysis of vibrationally resolved electronic spectra with ab initio semiclassical dynamics. [Thesis]. EPFL; 2015. Available from: http://infoscience.epfl.ch/record/212705

Not specified: Masters Thesis or Doctoral Dissertation

9.
Ivanov, Misha Yu.
Signatures of attosecond electronic-nuclear *dynamics* in the one-photon ionization of molecular hydrogen: analytical model versus ab initio calculations.

Degree: 2018, Institute of Physics Publishing

URL: http://hdl.handle.net/10486/676734

Subjects/Keywords: Attoseconds dynamics; Time-dependent WKB; Semiclassical; Autoionization; Química

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APA (6^{th} Edition):

Ivanov, M. Y. (2018). Signatures of attosecond electronic-nuclear dynamics in the one-photon ionization of molecular hydrogen: analytical model versus ab initio calculations. (Thesis). Institute of Physics Publishing. Retrieved from http://hdl.handle.net/10486/676734

Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^{th} Edition):

Ivanov, Misha Yu. “Signatures of attosecond electronic-nuclear dynamics in the one-photon ionization of molecular hydrogen: analytical model versus ab initio calculations.” 2018. Thesis, Institute of Physics Publishing. Accessed October 18, 2019. http://hdl.handle.net/10486/676734.

Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^{th} Edition):

Ivanov, Misha Yu. “Signatures of attosecond electronic-nuclear dynamics in the one-photon ionization of molecular hydrogen: analytical model versus ab initio calculations.” 2018. Web. 18 Oct 2019.

Vancouver:

Ivanov MY. Signatures of attosecond electronic-nuclear dynamics in the one-photon ionization of molecular hydrogen: analytical model versus ab initio calculations. [Internet] [Thesis]. Institute of Physics Publishing; 2018. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/10486/676734.

Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Ivanov MY. Signatures of attosecond electronic-nuclear dynamics in the one-photon ionization of molecular hydrogen: analytical model versus ab initio calculations. [Thesis]. Institute of Physics Publishing; 2018. Available from: http://hdl.handle.net/10486/676734

Not specified: Masters Thesis or Doctoral Dissertation

Freie Universität Berlin

10. Petersen, Jens. Entwicklung gemischt quanten-klassischer Methoden für kohärente Kontrolle und ultraschnelle Spektroskopie in komplexen Systemen.

Degree: 2013, Freie Universität Berlin

URL: http://dx.doi.org/10.17169/refubium-11831

► Im Rahmen dieser Dissertation wurde ein allgemeines Verfahren für die Simulation und Kontrolle der lasergetriebenen gekoppelten Kern- Elektronendynamik in komplexen molekularen Systemen entwickelt, das auf…
(more)

Subjects/Keywords: Coherent Control; Ultrafast Spectroscopy; Molecular Dynamics; Femtochemistry; Complex Systems; Semiclassical Dynamics; 500 Naturwissenschaften und Mathematik::530 Physik; 500 Naturwissenschaften und Mathematik::540 Chemie

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APA (6^{th} Edition):

Petersen, J. (2013). Entwicklung gemischt quanten-klassischer Methoden für kohärente Kontrolle und ultraschnelle Spektroskopie in komplexen Systemen. (Thesis). Freie Universität Berlin. Retrieved from http://dx.doi.org/10.17169/refubium-11831

Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^{th} Edition):

Petersen, Jens. “Entwicklung gemischt quanten-klassischer Methoden für kohärente Kontrolle und ultraschnelle Spektroskopie in komplexen Systemen.” 2013. Thesis, Freie Universität Berlin. Accessed October 18, 2019. http://dx.doi.org/10.17169/refubium-11831.

Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^{th} Edition):

Petersen, Jens. “Entwicklung gemischt quanten-klassischer Methoden für kohärente Kontrolle und ultraschnelle Spektroskopie in komplexen Systemen.” 2013. Web. 18 Oct 2019.

Vancouver:

Petersen J. Entwicklung gemischt quanten-klassischer Methoden für kohärente Kontrolle und ultraschnelle Spektroskopie in komplexen Systemen. [Internet] [Thesis]. Freie Universität Berlin; 2013. [cited 2019 Oct 18]. Available from: http://dx.doi.org/10.17169/refubium-11831.

Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Petersen J. Entwicklung gemischt quanten-klassischer Methoden für kohärente Kontrolle und ultraschnelle Spektroskopie in komplexen Systemen. [Thesis]. Freie Universität Berlin; 2013. Available from: http://dx.doi.org/10.17169/refubium-11831

Not specified: Masters Thesis or Doctoral Dissertation

11. Alemi, Mallory. The Optimized Mean-Trajectory Approximation Of Vibrational Response Functions .

Degree: 2015, Cornell University

URL: http://hdl.handle.net/1813/40687

Subjects/Keywords: semiclassical dynamics; vibrational response function; two-dimensional infrared spectroscopy

…Correspondence between density operator time evolution in 2FDs
and *semiclassical* paths… …*dynamics* of lipids,15 proteins,16–19 and
liquid water,20–22 and population relaxation17 and… …electrostatic potential or derivatives of this potential. Molecular *dynamics* (MD)… …to these methods we develop a *semiclassical* approximation46–54
with a uniform theoretical… …approximately quasiperiodic56, 57 on the timescales of interest. Other *semiclassical* approximations to…

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^{th} Edition):

Alemi, M. (2015). The Optimized Mean-Trajectory Approximation Of Vibrational Response Functions . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/40687

Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^{th} Edition):

Alemi, Mallory. “The Optimized Mean-Trajectory Approximation Of Vibrational Response Functions .” 2015. Thesis, Cornell University. Accessed October 18, 2019. http://hdl.handle.net/1813/40687.

Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^{th} Edition):

Alemi, Mallory. “The Optimized Mean-Trajectory Approximation Of Vibrational Response Functions .” 2015. Web. 18 Oct 2019.

Vancouver:

Alemi M. The Optimized Mean-Trajectory Approximation Of Vibrational Response Functions . [Internet] [Thesis]. Cornell University; 2015. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1813/40687.

Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Alemi M. The Optimized Mean-Trajectory Approximation Of Vibrational Response Functions . [Thesis]. Cornell University; 2015. Available from: http://hdl.handle.net/1813/40687

Not specified: Masters Thesis or Doctoral Dissertation

Cornell University

12. Noid, William. The (Semi-)Classical Vibrational Echo .

Degree: 2005, Cornell University

URL: http://hdl.handle.net/1813/1475

► The ultrafast vibrational echo experiment is one of a modern generation of nonlinear coherent optical spectroscopies probing the nuclear *dynamics* of condensed phases. The vibrational…
(more)

Subjects/Keywords: semiclassical dynamics; Herman-Kluk; vibrational spectroscopy; classical nonlinear response; MbCO A states; proteins; vibrational echoes; exciton; classical dephasing; resonant coupling

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APA (6^{th} Edition):

Noid, W. (2005). The (Semi-)Classical Vibrational Echo . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/1475

Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^{th} Edition):

Noid, William. “The (Semi-)Classical Vibrational Echo .” 2005. Thesis, Cornell University. Accessed October 18, 2019. http://hdl.handle.net/1813/1475.

Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^{th} Edition):

Noid, William. “The (Semi-)Classical Vibrational Echo .” 2005. Web. 18 Oct 2019.

Vancouver:

Noid W. The (Semi-)Classical Vibrational Echo . [Internet] [Thesis]. Cornell University; 2005. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1813/1475.

Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Noid W. The (Semi-)Classical Vibrational Echo . [Thesis]. Cornell University; 2005. Available from: http://hdl.handle.net/1813/1475

Not specified: Masters Thesis or Doctoral Dissertation

13. Iouchtchenko, Dmitri. Variations on PIGS: Non-standard approaches for imaginary-time path integrals.

Degree: 2015, University of Waterloo

URL: http://hdl.handle.net/10012/9559

► The second Rényi entropy has been used as a measure of entanglement in various model systems, including those on a lattice and in the continuum.…
(more)

Subjects/Keywords: path integral; path integral ground state; molecular cluster; entanglement; entanglement entropy; Rényi entropy; quantum dynamics; semiclassical; Herman-Kluk

…Monte Carlo
PIMD
Path Integral Molecular *Dynamics*
SC-IVR
*Semiclassical* Initial Value… …9
. 11
. 15
. 17
. 18
. 21
. 21
. 28
3 *Semiclassical* IVR with PIGS
3.1 Numerical… …Molecular
*Dynamics* (PIMD) [Tuc10, pp. 471,479].‡ In order to use these methods… …use of a transformation to normal modes and a Langevin *dynamics*
thermostat [CPM10]… …*dynamics* equations of motion, derive the LePIGS algorithm.
Solution on page 109.
Using LePIGS, we…

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APA (6^{th} Edition):

Iouchtchenko, D. (2015). Variations on PIGS: Non-standard approaches for imaginary-time path integrals. (Thesis). University of Waterloo. Retrieved from http://hdl.handle.net/10012/9559

Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^{th} Edition):

Iouchtchenko, Dmitri. “Variations on PIGS: Non-standard approaches for imaginary-time path integrals.” 2015. Thesis, University of Waterloo. Accessed October 18, 2019. http://hdl.handle.net/10012/9559.

Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^{th} Edition):

Iouchtchenko, Dmitri. “Variations on PIGS: Non-standard approaches for imaginary-time path integrals.” 2015. Web. 18 Oct 2019.

Vancouver:

Iouchtchenko D. Variations on PIGS: Non-standard approaches for imaginary-time path integrals. [Internet] [Thesis]. University of Waterloo; 2015. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/10012/9559.

Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Iouchtchenko D. Variations on PIGS: Non-standard approaches for imaginary-time path integrals. [Thesis]. University of Waterloo; 2015. Available from: http://hdl.handle.net/10012/9559

Not specified: Masters Thesis or Doctoral Dissertation

14. ΦΑΡΑΝΤΟΣ, ΣΤΑΥΡΟΣ. ΔΥΝΑΜΙΚΕΣ ΕΝΕΡΓΕΙΑΚΕΣ ΕΠΙΦΑΝΕΙΕΣ ΚΑΙ ΜΟΡΙΑΚΗ ΔΥΝΑΜΙΚΗ ΣΥΣΤΗΜΑΤΩΝ ΧΛΩΡΙΟΥ-ΟΞΥΓΟΝΟΥ.

Degree: 1979, Institutes outside Greece; Ιδρύματα Εξωτερικού

URL: http://hdl.handle.net/10442/hedi/0842

►

THE THEME OF THIS THESIS IS THE CONSTRUCTION OF ANALYTICAL POTENTIAL ENERGY SURFACES FOR SMALL POLYATOMIC MOLECULES AND THE STUDY OF CERTAIN CHLORINE OXYGEN REACTIONS… (more)

Subjects/Keywords: ΔΥΝΑΜΙΚΗ ΕΝΕΡΓΕΙΑΚΗ ΕΠΙΦΑΝΕΙΑ; ΕΝΔΟΜΟΡΙΑΚΗ ΔΥΝΑΜΙΚΗ; ΗΛΕΚΤΡΟΝΙΑΚΗ ΔΟΜΗ ΜΟΡΙΩΝ; ΗΜΙΚΛΑΣΣΙΚΗ ΜΗΧΑΝΙΚΗ; ΚΛΑΣΣΙΚΕΣ ΤΡΟΧΙΕΣ; ΚΡΟΥΣΕΙΣ ΜΟΡΙΩΝ; CLASSICAL TRAJECTORIES; INTRAMOLECULAR DYNAMICS; MOLECULAR COLLISIONS; MOLECULAR ELECTRONIC STRUCTURE; POTENTIAL ENERGY SURFACE; SEMICLASSICAL MECHANICS

Record Details Similar Records

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^{th} Edition):

ΦΑΡΑΝΤΟΣ, . . (1979). ΔΥΝΑΜΙΚΕΣ ΕΝΕΡΓΕΙΑΚΕΣ ΕΠΙΦΑΝΕΙΕΣ ΚΑΙ ΜΟΡΙΑΚΗ ΔΥΝΑΜΙΚΗ ΣΥΣΤΗΜΑΤΩΝ ΧΛΩΡΙΟΥ-ΟΞΥΓΟΝΟΥ. (Thesis). Institutes outside Greece; Ιδρύματα Εξωτερικού. Retrieved from http://hdl.handle.net/10442/hedi/0842

Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^{th} Edition):

ΦΑΡΑΝΤΟΣ, ΣΤΑΥΡΟΣ. “ΔΥΝΑΜΙΚΕΣ ΕΝΕΡΓΕΙΑΚΕΣ ΕΠΙΦΑΝΕΙΕΣ ΚΑΙ ΜΟΡΙΑΚΗ ΔΥΝΑΜΙΚΗ ΣΥΣΤΗΜΑΤΩΝ ΧΛΩΡΙΟΥ-ΟΞΥΓΟΝΟΥ.” 1979. Thesis, Institutes outside Greece; Ιδρύματα Εξωτερικού. Accessed October 18, 2019. http://hdl.handle.net/10442/hedi/0842.

Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^{th} Edition):

ΦΑΡΑΝΤΟΣ, ΣΤΑΥΡΟΣ. “ΔΥΝΑΜΙΚΕΣ ΕΝΕΡΓΕΙΑΚΕΣ ΕΠΙΦΑΝΕΙΕΣ ΚΑΙ ΜΟΡΙΑΚΗ ΔΥΝΑΜΙΚΗ ΣΥΣΤΗΜΑΤΩΝ ΧΛΩΡΙΟΥ-ΟΞΥΓΟΝΟΥ.” 1979. Web. 18 Oct 2019.

Vancouver:

ΦΑΡΑΝΤΟΣ . ΔΥΝΑΜΙΚΕΣ ΕΝΕΡΓΕΙΑΚΕΣ ΕΠΙΦΑΝΕΙΕΣ ΚΑΙ ΜΟΡΙΑΚΗ ΔΥΝΑΜΙΚΗ ΣΥΣΤΗΜΑΤΩΝ ΧΛΩΡΙΟΥ-ΟΞΥΓΟΝΟΥ. [Internet] [Thesis]. Institutes outside Greece; Ιδρύματα Εξωτερικού; 1979. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/10442/hedi/0842.

Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

ΦΑΡΑΝΤΟΣ . ΔΥΝΑΜΙΚΕΣ ΕΝΕΡΓΕΙΑΚΕΣ ΕΠΙΦΑΝΕΙΕΣ ΚΑΙ ΜΟΡΙΑΚΗ ΔΥΝΑΜΙΚΗ ΣΥΣΤΗΜΑΤΩΝ ΧΛΩΡΙΟΥ-ΟΞΥΓΟΝΟΥ. [Thesis]. Institutes outside Greece; Ιδρύματα Εξωτερικού; 1979. Available from: http://hdl.handle.net/10442/hedi/0842

Not specified: Masters Thesis or Doctoral Dissertation

15.
Shim, Sangwoo.
Quantum *Dynamics* in Biological Systems.

Degree: PhD, Chemical Physics, 2012, Harvard University

URL: http://nrs.harvard.edu/urn-3:HUL.InstRepos:10058477

► In the first part of this dissertation, recent efforts to understand quantum mechanical effects in biological systems are discussed. Especially, long-lived quantum coherences observed during…
(more)

Subjects/Keywords: Fenna-Matthews-Olson complex; long-lived quantum coherences; molecular dynamics; path integral Monte Carlo; resonance Raman; semiclassical initial value representation; chemistry; molecular physics; quantum physics

…J. 102, 649 (2012).
“First-principles *semiclassical* initial value representation… …molecular *dynamics*,” Michele Ceotto, Sule Atahan, Sangwoo Shim, Gian Franco Tantardini and Al´an… …University,
for introducing me to Monte Carlo and molecular *dynamics* simulations. These techniques… …for quantum *dynamics* and their associated chemical phenomena. The cost of solving the
time… …quantum mechanical *dynamics* easily becomes untractable with
currently available computational…

Record Details Similar Records

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^{th} Edition):

Shim, S. (2012). Quantum Dynamics in Biological Systems. (Doctoral Dissertation). Harvard University. Retrieved from http://nrs.harvard.edu/urn-3:HUL.InstRepos:10058477

Chicago Manual of Style (16^{th} Edition):

Shim, Sangwoo. “Quantum Dynamics in Biological Systems.” 2012. Doctoral Dissertation, Harvard University. Accessed October 18, 2019. http://nrs.harvard.edu/urn-3:HUL.InstRepos:10058477.

MLA Handbook (7^{th} Edition):

Shim, Sangwoo. “Quantum Dynamics in Biological Systems.” 2012. Web. 18 Oct 2019.

Vancouver:

Shim S. Quantum Dynamics in Biological Systems. [Internet] [Doctoral dissertation]. Harvard University; 2012. [cited 2019 Oct 18]. Available from: http://nrs.harvard.edu/urn-3:HUL.InstRepos:10058477.

Council of Science Editors:

Shim S. Quantum Dynamics in Biological Systems. [Doctoral Dissertation]. Harvard University; 2012. Available from: http://nrs.harvard.edu/urn-3:HUL.InstRepos:10058477

University of Oxford

16. Rodgers, Christopher T. Magnetic field effects in chemical systems.

Degree: PhD, 2007, University of Oxford

URL: http://ora.ox.ac.uk/objects/uuid:f5878b88-c5ba-4cbd-83af-857431aef66e ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.442570

► Magnetic fields influence the rate and/or yield of chemical reactions that proceed via spin correlated radical pair intermediates. The field of spin chemistry centres around…
(more)

Subjects/Keywords: 541.378; Molecular biophysics (biochemistry); Behaviour (zoology); Physical Sciences; Chemistry & allied sciences; Biophysical chemistry; NMR spectroscopy; Photochemistry and reaction dynamics; Physical & theoretical chemistry; Spectroscopy and molecular structure; Theoretical chemistry; Biophysics; magnetic; magnetic field effect; MARY-nu; polarization; Tikhonov; Maximum Entropy; regularization; semiclassical; zero-field EPR; electron spin resonance; electron paramagnetic resonance; magnetoreception; Erithacus rubecula; Ritz; Wiltschko; anisotropic

Record Details Similar Records

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^{th} Edition):

Rodgers, C. T. (2007). Magnetic field effects in chemical systems. (Doctoral Dissertation). University of Oxford. Retrieved from http://ora.ox.ac.uk/objects/uuid:f5878b88-c5ba-4cbd-83af-857431aef66e ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.442570

Chicago Manual of Style (16^{th} Edition):

Rodgers, Christopher T. “Magnetic field effects in chemical systems.” 2007. Doctoral Dissertation, University of Oxford. Accessed October 18, 2019. http://ora.ox.ac.uk/objects/uuid:f5878b88-c5ba-4cbd-83af-857431aef66e ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.442570.

MLA Handbook (7^{th} Edition):

Rodgers, Christopher T. “Magnetic field effects in chemical systems.” 2007. Web. 18 Oct 2019.

Vancouver:

Rodgers CT. Magnetic field effects in chemical systems. [Internet] [Doctoral dissertation]. University of Oxford; 2007. [cited 2019 Oct 18]. Available from: http://ora.ox.ac.uk/objects/uuid:f5878b88-c5ba-4cbd-83af-857431aef66e ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.442570.

Council of Science Editors:

Rodgers CT. Magnetic field effects in chemical systems. [Doctoral Dissertation]. University of Oxford; 2007. Available from: http://ora.ox.ac.uk/objects/uuid:f5878b88-c5ba-4cbd-83af-857431aef66e ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.442570