Ab initio potential energy curves for several molecular states of the multiply charged ion (OHe)6+
โ Scribed by K. Amezian; M.C. Bacchus-Montabonel
- Book ID
- 107733462
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 334 KB
- Volume
- 155
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Multi-reference configuration interaction calculations are carried out for the three lowest states, X \*Z+, A \*IT and B ?Z+, of the HeAr+ ion. The spin-orbit interaction between the Born-Oppenheimer states X ?Z+ and A 21T is calculated up to second order by employing the Breit-Pauli Hamiltonian. Th
Ab initio contiguration-interaction calculations using a 9sSpl3s2p gaussian basis supplemented with polarization functions are presented for potential curves for the a 'Z+and the louest 3~ state of CN+\_ The txxo states arc very close in energy and calculations at this ievel do not give an unequivoc