Annual Reports in Computational Chemistry
Latest Publications

TOTAL DOCUMENTS

11

(FIVE YEARS 11)

H-INDEX

3

(FIVE YEARS 3)

Published By Elsevier

9780128171196

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Converging finite-temperature many-body perturbation theory in the grand canonical ensemble that conserves the average number of electrons

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2019.08.003 ◽

2019 ◽

pp. 17-37 ◽

Author(s):

So Hirata ◽

Punit K. Jha

Keyword(s):

Perturbation Theory ◽

Finite Temperature ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Many Body ◽

Many Body Perturbation Theory ◽

Grand Canonical

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Mechanism of oxide-catalyzed selective oxidation: A computational perspective

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2019.08.007 ◽

2019 ◽

pp. 287-333

Author(s):

Shenggang Li ◽

David A. Dixon

Keyword(s):

Selective Oxidation ◽

Computational Perspective

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A comparison of methods for theoretical photochemistry: Applications, successes and challenges

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2019.08.008 ◽

2019 ◽

pp. 203-285 ◽

Author(s):

Nicholas S. Hill ◽

Michelle L. Coote

Keyword(s):

Comparison Of Methods ◽

Successes And Challenges

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Tensor representations and symmetry in many-electron wave functions

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2019.08.005 ◽

2019 ◽

pp. 79-101

Author(s):

T. Daniel Crawford ◽

Roberto Di Remigio

Keyword(s):

Wave Functions ◽

Electron Wave ◽

Tensor Representations

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Spectroscopy of linear and circular polarized light with the exact semiclassical light–matter interaction

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2019.08.004 ◽

2019 ◽

pp. 39-76 ◽

Author(s):

Marjan Khamesian ◽

Ignacio Fdez. Galván ◽

Mickaël G. Delcey ◽

Lasse Kragh Sørensen ◽

Roland Lindh

Keyword(s):

Polarized Light ◽

Matter Interaction ◽

Light Matter Interaction ◽

Circular Polarized Light

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Numerical evidence invalidating finite-temperature many-body perturbation theory

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2019.08.002 ◽

2019 ◽

pp. 3-15 ◽

Author(s):

Punit K. Jha ◽

So Hirata

Keyword(s):

Perturbation Theory ◽

Finite Temperature ◽

Many Body ◽

Numerical Evidence ◽

Many Body Perturbation Theory

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Structures and evolution of metal oxide nanoclusters: Bottom-up genetic algorithm and fragment-based energy decomposition model

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2019.08.001 ◽

2019 ◽

pp. 105-169

Author(s):

Mingyang Chen

Keyword(s):

Genetic Algorithm ◽

Metal Oxide ◽

Energy Decomposition ◽

Bottom Up ◽

Decomposition Model

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Computational vibrational spectroscopy for the detection of molecules in space

Annual Reports in Computational Chemistry ◽

10.1016/bs.arcc.2019.08.006 ◽

2019 ◽

pp. 173-202 ◽

Author(s):

Ryan C. Fortenberry ◽

Timothy J. Lee

Keyword(s):

Vibrational Spectroscopy

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Copyright

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(19)30013-1 ◽

2019 ◽

pp. iv

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Contributors

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(19)30015-5 ◽

2019 ◽

pp. ix-x

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