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You searched for +publisher:"University of Tennessee – Knoxville" +contributor:("Charles Collins, Tessa Calhoun, Sharani Roy, Michael D. Best"). One record found.

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University of Tennessee – Knoxville

1. D'Andrea, Dan. Three Body Interactions of Rare Gas Solids Calculated Within the Einstein Model.

Degree: MS, Chemistry, 2016, University of Tennessee – Knoxville

Three body interactions can become important in solids at higher pressures and densities as the molecules can come into close contact. At low temperatures, accurate studies of three body interactions in solids require averaging the three-body terms over the molecules' zero point motions. An efficient, but approximate, averaging approach is based on a polynomial approximation of the three-body term. The polynomial approximation can be developed as a function of the symmetry coordinates of a triangle displaced from its average geometry and also as a function of the Cartesian zero point displacements from each atom’s average position. The polynomial approximation approach can be checked through two more accurate, but more time-consuming methods: Gaussian quadrature or Monte Carlo integration of the exact three-body function. Results are presented for solid helium, solid neon and solid argon, treated as Einstein solids. An evaluation of the quality of the Einstein model approximation will also be presented. Results for helium will be compared with quantum Monte Carlo simulations. Advisors/Committee Members: Robert J. Hinde, Charles Collins, Tessa Calhoun, Sharani Roy, Michael D. Best.

Subjects/Keywords: Numerical Analysis and Scientific Computing; Organic Chemistry; Other Chemistry; Physical Chemistry; Programming Languages and Compilers

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

APA (6th Edition):

D'Andrea, D. (2016). Three Body Interactions of Rare Gas Solids Calculated Within the Einstein Model. (Thesis). University of Tennessee – Knoxville. Retrieved from https://trace.tennessee.edu/utk_gradthes/4284

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

D'Andrea, Dan. “Three Body Interactions of Rare Gas Solids Calculated Within the Einstein Model.” 2016. Thesis, University of Tennessee – Knoxville. Accessed November 14, 2019. https://trace.tennessee.edu/utk_gradthes/4284.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

D'Andrea, Dan. “Three Body Interactions of Rare Gas Solids Calculated Within the Einstein Model.” 2016. Web. 14 Nov 2019.

Vancouver:

D'Andrea D. Three Body Interactions of Rare Gas Solids Calculated Within the Einstein Model. [Internet] [Thesis]. University of Tennessee – Knoxville; 2016. [cited 2019 Nov 14]. Available from: https://trace.tennessee.edu/utk_gradthes/4284.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

D'Andrea D. Three Body Interactions of Rare Gas Solids Calculated Within the Einstein Model. [Thesis]. University of Tennessee – Knoxville; 2016. Available from: https://trace.tennessee.edu/utk_gradthes/4284

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

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