Simulation of (A)over-tilde(1)B(1)->(X)over-tilde(1)A(1) CF2 single vibronic level emissions: Including anharmonic and Duschinsky effects
CASSCF/MRCI/aug-cc-pVQZ(no g) and RCCSD(T)/aug-cc-pVQZ potential energy functions were reported for the (A) over tilde B-1(1) and (X) over tilde (1)A(1) states of CF2, respectively. Vibrational wave functions of the symmetric stretching and bending modes of the two states of CF2 were obtained in var...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
2001-10-01.
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| Subjects: | |
| Online Access: | Get fulltext |