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Direct molecular dynamics

APPLYING DIRECT MOLECULAR DYNAMICS TO NON-ADIABATIC SYSTEMS... [Pg.250]


See also in sourсe #XX -- [ Pg.411 , Pg.412 , Pg.413 , Pg.415 ]




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Adiabatic systems, direct molecular dynamics

Conical intersections direct molecular dynamics, vibronic coupling

Crystal growth direct molecular dynamic simulations

Density operator, direct molecular dynamics

Direct Born-Oppenheimer molecular dynamics

Direct dynamics

Direct molecular dynamics Born-Oppenheimer approximation

Direct molecular dynamics CASSCF techniques

Direct molecular dynamics Gaussian wavepacket propagation

Direct molecular dynamics Gaussian wavepackets and multiple

Direct molecular dynamics Hamiltonian equations

Direct molecular dynamics Hamiltonian model

Direct molecular dynamics MMVB)

Direct molecular dynamics Renner-Teller effect

Direct molecular dynamics ab initio multiple spawning

Direct molecular dynamics adiabatic properties

Direct molecular dynamics conical intersections

Direct molecular dynamics dependency properties

Direct molecular dynamics diabatic properties

Direct molecular dynamics electronic states

Direct molecular dynamics expansion

Direct molecular dynamics mixed techniques

Direct molecular dynamics nuclear Schrodinger equation

Direct molecular dynamics principles

Direct molecular dynamics propagation mechanisms

Direct molecular dynamics reaction

Direct molecular dynamics recent studies

Direct molecular dynamics semiclassical calculation

Direct molecular dynamics semiempirical studies

Direct molecular dynamics spawning

Direct molecular dynamics theoretical background

Direct molecular dynamics trajectory surface hopping

Direct molecular dynamics triatomic molecules

Direct molecular dynamics vibronic coupling, adiabatic effects

Direct molecular dynamics vibronic effects

Direct molecular dynamics, ab initio multiple

Direct molecular dynamics, adiabatic systems initial conditions

Direct molecular dynamics, complete active

Direct molecular dynamics, complete active space self-consistent field

Direct molecular dynamics, complete active technique

Direct molecular dynamics, non-adiabatic

Direct molecular dynamics, non-adiabatic coupling

Direct molecular dynamics, nuclear motion

Direct molecular dynamics, nuclear motion Schrodinger equation

Direct molecular dynamics, nuclear motion classical mechanics

Direct molecular dynamics, theoretical

Direct molecular dynamics, vibronic coupling

Electron transfer direct molecular dynamics

Jahn-Teller effect direct molecular dynamics

Morse potentials, direct molecular dynamics

Multiple spawning, direct molecular dynamics

Photodissociation, direct molecular dynamics

Photon capture, direct molecular dynamics

Quantum chemistry, direct molecular dynamics

Schrodinger equation direct molecular dynamics

Surface hopping, direct molecular dynamics

Time-dependent equation direct molecular dynamics

Trajectory properties, direct molecular dynamics

Wave function direct molecular dynamics

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