DVM Xα calculations on the electronic structure of “superalkali” cations
✍ Scribed by G.L. Gutsev; A.I. Boldyrev
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 325 KB
- Volume
- 92
- Category
- Article
- ISSN
- 0009-2614
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📜 SIMILAR VOLUMES
~onimtion potent&k of the S& mokxzde have been c&-ted with the kelp of the discrete variatioti Xp method. A basis of numesicaI Hartree-Fock fknctions has been used. 3d Slater-type functions$ave also been included into the basis set in order to investigate the effect of 3d sulphur orbitals. The ordmi
## NOTE On the Electronic Structure of FeF and Its Cations Recently, iron monofluoride has been investigated both theoretically (1) and experimentally (2). In a high level ab initio study, Bauschlicher (1) confirmed that the ground state of the molecule should be a 6 D (rr[1d 3 4p 2 9s]10s) electr