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Born-Huang approximation wave function

In the two-electronic-state Born-Huang expansion, the full-Hilbert space of adiabatic electronic states is approximated by the lowest two states and furnishes for the corresponding electronic wave functions the approximate closure relation... [Pg.308]

Equation (6.130), which we will call the complete non-relativistic Hamiltonian, contains terms which couple the electronic and nuclear motions, making it impossible to obtain exact eigenfunctions and eigenvalues. This is where the Born-Oppenheimer approximation enters, in a method suggested by Bom and Huang [46]. We choose to expand the complete molecular wave function as the series... [Pg.221]


See other pages where Born-Huang approximation wave function is mentioned: [Pg.133]    [Pg.319]    [Pg.667]    [Pg.39]    [Pg.667]    [Pg.211]    [Pg.557]   
See also in sourсe #XX -- [ Pg.667 ]




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