Electron-molecule interactions. I. Single-centre wave functions and potentials
- 1 May 1970
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 3 (5), 636-640
- https://doi.org/10.1088/0022-3700/3/5/006
Abstract
The method of Harris and Michels is used to evaluate the single-centre wave functions of a diatomic molecule using a two-centred LCAO-MO-SCF function. The static potential between the molecule and an incident electron is then calculated. The results for N2 are given.Keywords
This publication has 3 references indexed in Scilit:
- Electron-molecule interactions. II. Scattering by closed-shell diatomic moleculesJournal of Physics B: Atomic and Molecular Physics, 1970
- Multicenter Integrals in Quantum Mechanics. I. Expansion of Slater-Type Orbitals about a New OriginThe Journal of Chemical Physics, 1965
- Electronic Structure of N2, CO, and BFThe Journal of Chemical Physics, 1964