SCF calculations for H 2 + , Li 2 + and LiH+ with atomic basis sets enlarged by bond functions
- 1 January 1972
- journal article
- relationes
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 25 (2) , 200-204
- https://doi.org/10.1007/bf01135646
Abstract
No abstract availableKeywords
This publication has 7 references indexed in Scilit:
- Methane as a Numerical Experiment for Polarization Basis Function SelectionThe Journal of Chemical Physics, 1971
- Floating Spherical Gaussian Orbital Model of Molecular Structure. I. Computational Procedure. LiH as an ExampleThe Journal of Chemical Physics, 1967
- Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AHThe Journal of Chemical Physics, 1967
- Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and EthyleneThe Journal of Chemical Physics, 1966
- Distortion of Atomic Orbitals in Molecular Orbitals. II. Charge Shift and Charge Deformation of the Hydrogen Atom in H2+The Journal of Chemical Physics, 1962
- Wave functions of the hydrogen molecular ionPhilosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1953
- The electronic structure and the interaction of some simple radicalsTransactions of the Faraday Society, 1934