Hartree-Fock theory of proton states in hydrides
β Scribed by Brian A. Pettitt
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 363 KB
- Volume
- 130
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
The radial density distribution function computed from the spherically averaged numerical Hartree-Fock density is found to reveal distinct topological features characteristic of the shell structure of atoms beyond Ar for which hitherto reported studies based on the analytical Hartree-Fock density do
An expression ior the transition matrix element between excited states is given in terms of the solutions to the time-dependent Ha-tree-Fock eigenvalue ditierendal equations. Some dipc4e oscillator saengths and transirioo moments are evaluated for members of the helium isoelectronic sequence.
## Abatnct-An important question in elcctrosorption bond theory is how does the partial charge transfer coefficient dcpcnd on the electrode potential. In this paper, we report a systematic study of this question using a model which is simple enough so that hydrogen clectrosorption can be treated i