Ab initio study of the LiH+ molecule, electronic interaction analysis and LiH UV photoelectron spectrum

Chemical Physics

Volumn 191, Issue 1-3, 1995, Pages 119-131

  Berriche, Hamid ^a   Gadea, Florent Xavier ^a  

^a UNIVERSITÉ PAUL SABATIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 21844491417     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(94)00342-8     Document Type: Article

References (19)

1. Ab initio calculation of nuclear quadrupole coupling constants of rovibrational levels in the three lowest-lying 2Σ+ states of all isotopic variants of LiH+
2. PNO–CI and CEPA studies of electron correlation effects. IV. Ionization energies of the first and second row diatomic hydrides and the spectroscopic constants of their ions
3. Potential energy curves for the 48 lowest-lying molecular states of LiH+
4. One-center expansion for pseudopotential matrix elements
5. Treatment of intershell correlation effects in ab initio calculations by use of core polarization potentials. Method and application to alkali and alkaline earth atoms
6. Dissociation energies of diatomic moleculles from vibrational spacings of higher levels: application to the halogens*
7. Approximately diabatic states: A relation between effective Hamiltonian techniques and explicit cancellation of the derivative coupling