Virtual orbitals, excitation energies, and oscillator strengths

1 August 1973

journal article
Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics

Vol. 6 (8) , 1412-1417
https://doi.org/10.1088/0022-3700/6/8/018

Abstract

The method of Huzinaga and Arnau (1970, 71) for improving virtual orbitals in the Hartree-Fock is discussed from different points of view. An application to the calculation of excitation energies and oscillator strengths (f values) for the helium atom is given. The calculated excitation energies are found to be accurate to within 2 to 3%. The agreement of the calculated f values with those obtained by more sophisticated methods is remarkable.

Keywords

This publication has 19 references indexed in Scilit:

Selection of the Proper Canonical Roothaan-Hartree-Fock Orbitals for Particular Applications. I. Theory
The Journal of Chemical Physics, 1972
$S$ and $P$ States of the Helium Isoelectronic Sequence up to $Z = 10$
Physical Review A, 1971
Virtual Orbitals in Hartree–Fock Theory. II
The Journal of Chemical Physics, 1971
Virtual Orbitals in Hartree-Fock Theory
Physical Review A, 1970
The Calculation of Atomic Transition Probabilities
Published by Elsevier ,1969
Some Hartree—Fock Results for Two- and Four-Electron Atomic Systems
The Journal of Chemical Physics, 1967
Hartree-Fock Procedure for Some $ns n^{'} s {}^{1}S$ Configurations
Physical Review B, 1966
Oscillator Strengths for Singlet and Triplet Series in Neutral Helium
The Astrophysical Journal, 1966
Properties of the Helium Atom
Proceedings of the Physical Society. Section A, 1957
On the Continuous Absorption Coefficient of the Negative Hydrogen Ion
The Astrophysical Journal, 1945