Molecular orbitals for excited states of atoms and molecules |
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| Authors: | Renato Colle Raffaele Montagnani Pierluigi Riani Oriano Salvetti |
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| Affiliation: | (1) Laboratorio di Chimica Quantistica ed Energetica Molecolare del C.N.R., Via Risorgimento, 35, I-56100 Pisa, Italy |
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| Abstract: | A method is described for calculating SCF wavefunctions for excited electronic states of atoms and molecules. The orthogonality conditions with the ground state wavefunction and the underlying excited states wavefunctions are introduced in the SCF process in a simplified form. |
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| Keywords: | Excited states Orthogonality conditions |
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