Berry Phases in Electronic Structure Theory

Mapping Intimacies ◽

10.1017/9781316662205 ◽

2018 ◽

Author(s):

David Vanderbilt

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Structure Theory ◽

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Berry phases in electronic structure theory

Contemporary Physics ◽

10.1080/00107514.2018.1559235 ◽

2018 ◽

Vol 59 (4) ◽

pp. 434-435

Author(s):

K. Alan Shore

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Structure Theory ◽

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Berry Phases in Electronic Structure Theory. Electric Polarization, Orbital Magnetization and Topological Insulators. By David Vanderbilt. Cambridge University Press, 2018. Hardback, pp. x+384. Price GBP 59.99. ISBN 9781107157651.

Acta Crystallographica Section A Foundations and Advances ◽

10.1107/s2053273319009744 ◽

2019 ◽

Vol 75 (6) ◽

pp. 913-914

Author(s):

Laurent Chaput

Keyword(s):

Electronic Structure ◽

Topological Insulators ◽

Electric Polarization ◽

Electronic Structure Theory ◽

Structure Theory ◽

Cambridge University ◽

Orbital Magnetization ◽

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ChemInform Abstract: Direct Chemical Dynamics Simulations: Coupling of Classical and Quasiclassical Trajectories with Electronic Structure Theory

10.1002/chin.201348274 ◽

2013 ◽

Vol 44 (48) ◽

pp. no-no

Author(s):

Manikandan Paranjothy ◽

Rui Sun ◽

Yu Zhuang ◽

William L. Hase

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Structure Theory ◽

Chemical Dynamics ◽

Quasiclassical Trajectories ◽

Dynamics Simulations

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A rigorous and optimized strategy for the evaluation of the Boys function kernel in molecular electronic structure theory

Journal of Computational Chemistry ◽

10.1002/jcc.23935 ◽

2015 ◽

Vol 36 (18) ◽

pp. 1390-1398 ◽

Author(s):

Alexander K. H. Weiss ◽

Christian Ochsenfeld

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Structure Theory ◽

Molecular Electronic ◽

Molecular Electronic Structure ◽

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Modeling Polymorphic Molecular Crystals with Electronic Structure Theory

Chemical Reviews ◽

10.1021/acs.chemrev.5b00648 ◽

2016 ◽

Vol 116 (9) ◽

pp. 5567-5613 ◽

Author(s):

Gregory J. O. Beran

Keyword(s):

Electronic Structure ◽

Molecular Crystals ◽

Electronic Structure Theory ◽

Structure Theory

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Occupation probabilities as variables in electronic structure theory: cooper pairing, OP-NSOFT-Cs,t, and the homogeneous electron liquid

The European Physical Journal B ◽

10.1140/epjb/e2018-90242-2 ◽

2018 ◽

Vol 91 (10) ◽

Author(s):

Ralph Gebauer ◽

Morrel H. Cohen ◽

Roberto Car

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Structure Theory ◽

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Electronic structure theory for small metallic particles

Heterogeneous Atmospheric Chemistry - Geophysical Monograph Series ◽

10.1029/gm026p0077 ◽

1982 ◽

pp. 77-86

Author(s):

R. P. Messmer

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Structure Theory ◽

Metallic Particles

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The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory

Computer Physics Communications ◽

10.1016/j.cpc.2013.11.011 ◽

2014 ◽

Vol 185 (3) ◽

pp. 1074-1080 ◽

Author(s):

Upakarasamy Lourderaj ◽

Rui Sun ◽

Swapnil C. Kohale ◽

George L. Barnes ◽

Wibe A. de Jong ◽

...

Keyword(s):

Electronic Structure ◽

Software Package ◽

Electronic Structure Theory ◽

Structure Theory ◽

Chemical Dynamics ◽

Tight Coupling ◽

Dynamics Simulations

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On the use of many-body perturbation theory and quantum-electrodynamics in molecular electronic structure theory

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00477-8 ◽

2001 ◽

Vol 547 (1-3) ◽

pp. 279-291 ◽

Author(s):

S. Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Quantum Electrodynamics ◽

Electronic Structure Theory ◽

Structure Theory ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Molecular Electronic Structure

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The Parameter I – A in Electronic Structure Theory

Concepts and Methods in Modern Theoretical Chemistry, Two Volume Set ◽

10.1201/b15083-29 ◽

2020 ◽

pp. 466-475

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Structure Theory

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