The use of slater orbitals in variational calculations involving one-electron green's functions
β Scribed by Michael Blakemore; Gwynne A. Evans; John Hyslop
- Publisher
- Springer
- Year
- 1975
- Tongue
- English
- Weight
- 592 KB
- Volume
- 40
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract Singleβexponential Slater type orbitals of the form Ο~1~ = (1 + __L__~1~(__r__, ΞΈ) + __L__~2~(__r__, ΞΈ) +β¦οΈ+ __L__~__n__~(__r__, ΞΈ)) exp (β Ξ±__r__) are examined for their potential use as oneβcenter molecular orbitals. These are then to be used as molecular fragments in a LCMO study. Th
The valence and core ionization potentials of Ne, Mg, and Hz0 have been calculated by using the one-body Green's function. The self-energy part WBS taken to include the second order and the w2dcpcndent terms, third order ita the perturbation.