Atomic orbitals with angularly dependent Z eff to be used in molecular orbitals calculations

1 May 1961

journal article
research article
Published by Taylor & Francis in Molecular Physics

Vol. 4 (3) , 193-197
https://doi.org/10.1080/00268976100100271

Abstract

A new type of atomic orbital is proposed for use in molecular problems of quantum mechanics. This orbital is formally similar to Slater's orbitals but is characterized by an effective nuclear charge Z _eff which is an explicit function of the angles ϑ and φ. The fundamental state of the molecule H₂ ⁺ is studied using such an orbital.

Keywords

This publication has 3 references indexed in Scilit:

Wave functions of the hydrogen molecular ion
Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1953
The Normal State of the Hydrogen Molecule-Ion
The Journal of Chemical Physics, 1933
ber die Energie des He-Atoms und des positiven H2-Ions im Normalzustande
The European Physical Journal A, 1928