Correlated prolate–spheroidal wave functions for the excited states 1,3Σg+(1sσg, 2sσg) of H2 and He22+
- 15 September 1981
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 75 (6) , 2932-2934
- https://doi.org/10.1063/1.442383
Abstract
The total energy of the excited states 1,3Σg+(1sσg, 2sσg) of H2 and He22+ has been calculated for several values of the internuclear distance from a one‐parameter correlated prolate–spheroidal wave function. Such diabatic results are seen to be in fairly good agreement with the best adiabatic ones outside the avoided‐crossing regions.Keywords
This publication has 15 references indexed in Scilit:
- Correlated prolate–spheroidal wave function for two-electron diatomic systemsThe Journal of Chemical Physics, 1981
- Accurate electronic energies ofPhysical Review A, 1977
- General procedure for determination of shielded diatomic orbitalsPhysical Review A, 1977
- Diabatic molecular states and the shielded diatomic orbitals method: Theoretical study of+ D inelastic collisionsPhysical Review A, 1976
- Prolate-spheroidal orbitals for homonuclear and heteronuclear diatomic molecules. I. Basic procedurePhysical Review A, 1974
- Resonant Charge Exchange in Atomic CollisionsPhysical Review B, 1963
- Fonctions d'onde approchées à un paramètre pour les états 2 s de He IJournal de Physique et le Radium, 1954
- Nouvelle famille de solutions approchées pour certaines équations de Schrödinger non séparables. Application à l'état fondamental de l'héliumJournal de Physique et le Radium, 1951
- A Correction and Addition to the Discussion of the Ground State of H2The Journal of Chemical Physics, 1935
- The Ground State of the Hydrogen MoleculeThe Journal of Chemical Physics, 1933