Comparison of moving and fixed basis sets for nonadiabatic quantum dynamics at conical intersections-Reference-Cited by-同舟云学术

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Comparison of moving and fixed basis sets for nonadiabatic quantum dynamics at conical intersections

Published:2020-01 Issue: Volume:528 Page:110526
ISSN:0301-0104
Container-title:Chemical Physics
language:en
Short-container-title:Chemical Physics

Author:

Titov Evgenii^ORCID,Humeniuk Alexander,Mitrić Roland

Funder

Deutsche Forschungsgemeinschaft

European Research Council

DYNAMO

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference75 articles.

1. Intersection of potential energy surfaces in polyatomic molecules;Herzberg;Discuss. Faraday Soc.,1963

2. The intersection of potential energy surfaces in polyatomic molecules;Longuet-Higgins;Proc. R. Soc. A,1975

3. Symmetry breaking and non-Born-Oppenheimer effects in radical cations;Köppel;Angew. Chem. Int. Ed.,1983

4. Excited-state hydrogen detachment and hydrogen transfer driven by repulsive 1 πσ∗ states: A new paradigm for nonradiative decay in aromatic biomolecules;Sobolewski;Phys. Chem. Chem. Phys.,2002

5. Nonadiabatic dynamics within the time dependent density functional theory: Ultrafast photodynamics in pyrazine;Werner;Chem. Phys.,2008

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1. Gaussian Wave Packet and Coherent State Based Methods in Chemical Quantum Dynamics;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2022

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