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Electronic excited states initial guess

Our approximate electronic wave function may have more than one saddle point. Nevertheless, if we select our initial guess carefully we should be relatively close to the saddle point that most closely represents the true excited state and the level-shifted Newton step should guide us reliably to this point... [Pg.317]


See other pages where Electronic excited states initial guess is mentioned: [Pg.289]    [Pg.289]    [Pg.121]    [Pg.287]    [Pg.186]    [Pg.187]    [Pg.174]    [Pg.175]    [Pg.234]    [Pg.80]    [Pg.112]    [Pg.382]   
See also in sourсe #XX -- [ Pg.217 ]

See also in sourсe #XX -- [ Pg.217 ]




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Electron-excitation states

Electronic excited

Electronic excited states

Electronical excitation

Electrons excitation

Electrons, excited

GUESS

Guessing

Initial guess

Initial state

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