Effect of nonorthogonality of electronic wave functions on the approximate calculation of transition dipole moments |
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| Authors: | V. A. Kozlov V. I. Pupyshev N. F. Stepanov |
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| Affiliation: | (1) Krasnoyarsk Institute, USSR;(2) Moscow Institute, USSR |
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| Abstract: | We discuss a method of taking into account the nonorthogonality of independent approximations for the electronic wave functions of states of a single symmetry type in the calculation of transition dipole moments. The effectiveness of the method is illustrated for the example of the electronic transition C2 r-A2i of the molecule BO.Translated from Teoreticheskaya i Eksperimental'naya Khimiya, Vol. 26, No. 2, pp. 215–217, March–April, 1990 |
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