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On-the-Fly CASPT2 Surface-Hopping Dynamics
Jae Woo Park
*
, Toru Shiozaki
*
Corresponding author for this work
Chemistry
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Article
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peer-review
126
Scopus citations
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Chemistry
Adenine
100%
Chromophore
100%
Condensed Phase
100%
Green Fluorescent Protein
100%
k·p perturbation theory
100%
Molecular Dynamics
100%
Nuclear Energy
100%
Perturbation Theory
100%
Potential Energy Surface
100%
Keyphrases
Bagel
25%
CASPT2
100%
Chromophore
25%
Classical Molecular Dynamics
25%
Condensed Phase
25%
Coupling Evaluation
25%
Derivative Coupling
25%
Dynamic Packaging
25%
Dynamic Programming
25%
Dynamic Simulation
50%
Energy Derivatives
25%
Energy Gradient
25%
Gas Phase
25%
General Public License
25%
Gradient Coupling
25%
Local Contraction
25%
Multireference Perturbation Theory
25%
Nonadiabatic Dynamics Simulations
25%
Nuclear Energy
25%
Potential Energy Surface
25%
Publicly Available
25%
Surface Hopping Dynamics
100%