Exploring connections between statistical mechanics and Green’s functions for realistic systems: Temperature dependent electronic entropy and internal energy from a self-consistent second-order Green’s function-Reference-Cited by-同舟云学术

Exploring connections between statistical mechanics and Green’s functions for realistic systems: Temperature dependent electronic entropy and internal energy from a self-consistent second-order Green’s function

Published:2016-11-23 Issue:20 Volume:145 Page:204106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Welden Alicia Rae¹,Rusakov Alexander A.¹^ORCID,Zgid Dominika¹

Affiliation:

1. Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA

Funder

National Science Foundation (NSF)

U.S. Department of Energy (DOE)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4967449

Reference58 articles.

1. D. A. McQuarrie and J. D. Simon, Molecular Thermodynamics (University Science Books Sausalito, CA, 1999).

2. J. W. Ochterski, Thermochemistry in Gaussian (Gaussian Inc, Pittsburgh, 2000), pp. 1–17.

3. J. Y. Tsao, The World of Compound Semiconductors (Citeseer, 2004), available online at http://www.sandia.gov/~jytsao/WCS.pdf.

4. Free Energy Contributions to the hcp-bcc Transformation in Transition Metals

5. Temperature-Accelerated Method for Exploring Polymorphism in Molecular Crystals Based on Free Energy

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