Theoretical laser cooling feasibility study of ZrH molecule at the fine structure level
A theoretical electronic structure calculation of the ZrH molecule is conducted via ab initio Complete Active Space Self-Consistent Field and the Multireference Configuration Interaction with Davidson correction calculation (CASSCF/MRCI + Q). The adiabatic potential energy curves (PECs) for the 53 l...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2025-07-01
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| Series: | Frontiers in Chemistry |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2025.1603873/full |
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