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Direct molecular dynamics adiabatic properties

Wigner rotation/adiabatic-to-diabatic transformation matrices, 92 Electronic structure theory, electron nuclear dynamics (END) structure and properties, 326-327 theoretical background, 324-325 time-dependent variational principle (TDVP), general nuclear dynamics, 334-337 Electronic wave function, permutational symmetry, 680-682 Electron nuclear dynamics (END) degenerate states chemistry, xii-xiii direct molecular dynamics, structure and properties, 327 molecular systems, 337-351 final-state analysis, 342-349 intramolecular electron transfer,... [Pg.76]


See other pages where Direct molecular dynamics adiabatic properties is mentioned: [Pg.101]    [Pg.78]    [Pg.136]    [Pg.12]    [Pg.147]    [Pg.3808]    [Pg.121]    [Pg.464]    [Pg.3807]    [Pg.11]    [Pg.253]    [Pg.45]    [Pg.17]   
See also in sourсe #XX -- [ Pg.382 , Pg.383 ]

See also in sourсe #XX -- [ Pg.382 , Pg.384 ]




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Adiabatic dynamics

Adiabatic molecular dynamics

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Direct molecular dynamics

Direct properties

Directional properties

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