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Pseudopotential calculation of the effective ion-ion potential for simple metals

✍ Scribed by H.C. Gupta; B.B. Tripathi


Publisher
Elsevier Science
Year
1972
Weight
175 KB
Volume
58
Category
Article
ISSN
0031-8914

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πŸ“œ SIMILAR VOLUMES


CAS SCF calculations of potential enregy
✍ A. Heiberg; J. AlmlΓΆf; A.V. Nemukhin πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science 🌐 English βš– 422 KB

The oxoborate ion BO-has been investigated at Ihe MC SCF fevel of approximation. using an augmented double-zeta tx~.&-Potenti me3 have been calculated for the three lowest stales. The results are compared to those ohtamed for 80 in a previous, simhu study.

Pseudopotential SCF/CI calculation for t
✍ E. Czuchaj; F. Rebentrost; H. Stoll; H. Preuss πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 623 KB

Potential energy curves for the CaHe system are recalculated using a modified version of the pseudopotential method. Unlike our previous calculations, the CaHe diatomic is now handled as a four-electron system. In the Cl calculation, only the valence electrons of Ca are active, whereas the electrons