Pseudopotential calculation of the effective ion-ion potential for simple metals
β 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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π SIMILAR VOLUMES
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.
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