Theoretical electronic structure of the cadmium monohalide molecules CdX (X = F, Cl, Br, I)
The potential energy and dipole moment curves for the lowest electronic states in the representation 2s+1Λ(±) of CdX (X = F, Cl, Br, I) molecules are investigated via complete active space self-consistent field (CASSCF) and multi-reference configuration interaction MRCI (single and double excitation...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2017-10-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4993648 |