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Direct molecular dynamics, ab initio multiple

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 ... [Pg.85]

Multiple spawning, direct molecular dynamics ab initio multiple spawning, 411-414 non-adiabatic coupling, 399-402 Multivalued matrix elements, non-adiabatic coupling ... [Pg.88]

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 ... [Pg.66]

See other pages where Direct molecular dynamics, ab initio multiple is mentioned: [Pg.76] [Pg.84] [Pg.97] [Pg.98] [Pg.76] [Pg.84] [Pg.97] [Pg.98] [Pg.427] [Pg.427] [Pg.299] [Pg.334]

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Ab initio dynamics

Ab initio molecular dynamics

Direct dynamics

Direct molecular dynamics

Direct molecular dynamics ab initio multiple spawning

Molecular ab-initio

Multiple dynamics

Multiple molecular dynamics

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