On the ligand field effect of the H atom in TiH and VH
- 1 August 1974
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 7 (11) , L347-L349
- https://doi.org/10.1088/0022-3700/7/11/006
Abstract
Ab initio molecular orbital calculations on low-lying states of TiH and VH are presented; these suggest that states not considered in a previous study of TiH may be low-lying. Configuration interaction is performed between near-degenerate states, and it is concluded that the H atom acts only as a small perturbation on the Ti and V atoms. The ground state of VH is predicted to be 5 Delta .Keywords
This publication has 3 references indexed in Scilit:
- On the low-lying electronic states of TiHJournal of Physics B: Atomic and Molecular Physics, 1974
- Simple Basis Set for Molecular Wavefunctions Containing Third-Row AtomsThe Journal of Chemical Physics, 1967
- Electronic Ground State and Wavefunctions for Vanadium MonoxideThe Journal of Chemical Physics, 1966