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Ab initio multiple spawning direct molecular dynamics

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 Ab initio multiple spawning direct molecular dynamics is mentioned: [Pg.76]    [Pg.84]    [Pg.97]    [Pg.98]    [Pg.76]    [Pg.84]    [Pg.97]    [Pg.98]    [Pg.427]    [Pg.427]   
See also in sourсe #XX -- [ Pg.411 , Pg.412 , Pg.413 ]

See also in sourсe #XX -- [ Pg.411 , Pg.414 ]



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Ab initio dynamics

Ab initio molecular dynamics

Ab initio multiple spawning

Direct dynamics

Direct molecular dynamics

Direct molecular dynamics spawning

Direct molecular dynamics, ab initio multiple

Molecular ab-initio

Multiple dynamics

Multiple molecular dynamics

Multiple spawning, direct molecular dynamics

Spawn

Spawning

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