Abstract
The electrostatic method of calculating molecular energies introduced in the first paper of this series is investigated more closely. It is shown that, for wave functions obtained by a consistent application of the Ritz variational procedure (floating functions), the electrostatic method is equivalent to the conventional method in terms of the Hamiltonian integral. Such floating functions are used to investigate various electronic states of the hydrogen molecule and the hydrogen molecular ion, and to explain certain anomalies in previous calculations. A method for estimating charge densities in localized chemical bonds is outlined.
Reference12 articles.
1. Self-consistent field for molecular hydrogen
2. Kinetic energy, potential energy and force in molecule formation
3. J;Gurnee E. F.;Chem. Phys.,1950
4. Herzberg G. 1950 Molecular spectra and molecular structure. 1. New York: Van Nostrand.
Cited by
179 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献