Ab initio calculations on SF2 and its low-lying cationic states: Anharmonic Franck-Condon simulation of the uv photoelectron spectrum of SF2
Geometry optimization calculations were carried out on the X (1)A(1) state of SF2 and the X B-2(1), A (2)A(1), B B-2(2), C B-2(2), D (2)A(1), and E (2)A(2) states of SF2+ employing the restricted-spin coupled-cluster single-double plus perturbative triple excitation [RCCSD(T)] method and basis sets...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
2006-09.
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| Subjects: | |
| Online Access: | Get fulltext |