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Born- Oppenheimer

That is, a molecule for which the minimum of the Born-Oppenheimer potential energy function corresponds to a... [Pg.182]

B3.1.1.1 THE UNDERLYING THEORETICAL BASIS—THE BORN-OPPENHEIMER MODEL... [Pg.2154]

Pack R T and Hirschfelder J O 1970 Energy corrections to the Born-Oppenheimer approximation. The best adiabatic approximation J. Chem. Phys. 52 521-34... [Pg.2192]

Early treatments of molecules in which non-Born-Oppenheimer terms were included were made in ... [Pg.2192]

Mead C A and Truhlar D G 1979 On the determination of Born-Oppenheimer nuclear motion wave functions including complications due to conical intersections and identical nuclei J. Chem. Phys. 70 2284... [Pg.2330]

NON-ADIABATIC EFFECTS IN CHEMICAL REACTIONS EXTENDED BORN-OPPENHEIMER EQUATIONS AND ITS APPLICATIONS... [Pg.39]

THE CRUDE BORN-OPPENHEIMER ADIABATIC APPROXIMATION OF MOLECULAR POTENTIAL ENERGIES... [Pg.399]

II. Crude Born-Oppenheimer Approximarion in. Hydrogen Molecule Hamiltonian... [Pg.399]

THE CRUDE BORN—OPPENHEIMER ADIABATIC APPROXIMATION 521 Consider the integral... [Pg.415]

THE CRUDE BORN-OPPENHEIMER ADIABATIC APPROXIMATION 555 which is a more general foiin of Eq. (131). The modification is simple ... [Pg.449]

A. The Born—Oppenheimer Equations for a Complete Hilhert Space... [Pg.634]

B. The Born-Oppenheimer-Huang Equadon for a (Finite) Sub-Hilbert Space TIT. The Adiabatic-to-Diabatic Transformation... [Pg.634]

A. The Born-Oppenheimer Equations for a Complete Hilbert Space... [Pg.639]

See other pages where Born- Oppenheimer is mentioned: [Pg.2155]    [Pg.64]    [Pg.82]    [Pg.250]    [Pg.264]    [Pg.401]    [Pg.401]    [Pg.403]    [Pg.405]    [Pg.407]    [Pg.409]    [Pg.411]    [Pg.413]    [Pg.419]    [Pg.421]    [Pg.427]    [Pg.429]    [Pg.431]    [Pg.433]    [Pg.435]    [Pg.437]    [Pg.441]    [Pg.445]    [Pg.447]    [Pg.639]    [Pg.767]    [Pg.767]    [Pg.768]   
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