| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383495 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠We calculated the electronic ground and excited states of CaH+ molecule. ⺠The cc-pV5Z basis set was used at the non-relativistic MS-CASPT2 level of theory. ⺠We obtained potential energy, spectroscopic constants, and transition dipole moments. ⺠Using the data, we discuss transition probability in LIF spectroscopy. ⺠Most probable candidate state for LIF is the 21Σ excited state.
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Authors
Minori Abe, Yoshiki Moriwaki, Masahiko Hada, Masatoshi Kajita,