Relative dipole moments in excited states: A re-examination of existing theory
Existing theories of the relative dipole moments in singlet and triplet states have been re-examined, and calculations are presented for NH, CH 2 and a fictitious molecule with nuclear charges 1.1 and 0.9 au. The usual assumption that electrons are farther apart in the triplet is found to be questio...
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| Published in | Chemical physics letters Vol. 30; no. 3; pp. 490 - 494 |
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| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier B.V
01.02.1975
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| Online Access | Get full text |
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| Summary: | Existing theories of the relative dipole moments in singlet and triplet states have been re-examined, and calculations are presented for NH, CH
2 and a fictitious molecule with nuclear charges 1.1 and 0.9 au. The usual assumption that electrons are farther apart in the triplet is found to be questionable. Changes in inner molecular orbitals are also more important than was believed previously. |
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| ISSN: | 0009-2614 1873-4448 |
| DOI: | 10.1016/0009-2614(75)80038-8 |