Theoretical study with dipole moment calculation of new electronic states of the molecule BF
The potential energy curves for the 45 singlet, triplet, and quintet electronic states in the representation 2s+1Λ(+/-) of the BF molecule have been investigated using the complete active space self-consistent field (CASSCF) method with multireference configuration interaction (MRCI). The internucle...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
De Gruyter
2016-06-01
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| Series: | Nanotechnology Reviews |
| Subjects: | |
| Online Access: | https://doi.org/10.1515/ntrev-2015-0006 |