Multiple spawning, direct molecular dynamics

Multiple spawning, direct molecular dynamics ab initio multiple spawning, 411-414 non-adiabatic coupling, 399-402 Multivalued matrix elements, non-adiabatic coupling ... 

II electronic states, 634-640 theoretical background, 625-626 triatomic molecules, 611-615 pragmatic models, 620-621 Ab initio multiple spawning (AIMS) conical intersection location, 491-492 direct molecular dynamics, 411-414 theoretical background, 360-361 Adiabatic approximation geometric phase theory ... 

Heller equations, direct molecular dynamics, Gaussian wavepackets and multiple spawning, 399-402 Hellmann-Feynman theorem ... 

Localized molecular orbital/generalized valence bond (LMO/GVB) method, direct molecular dynamics, ab initio multiple spawning (AIMS), 413-414 Longuet-Higgins phase-change rule conical intersections ... 

Wigner rotation/adiabatic-to-diabatic transformation matrices, 91-92 Multiple independent spawning (MIS), direct molecular dynamics, non-adiabatic coupling, 402... 

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