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Atomic SCF calculations for the first transition series

✍ Scribed by J. H. Wood

Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 458 KB
Volume: 4
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560040738

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📜 SIMILAR VOLUMES

Atomic SCF valence orbitals for first tr

Atomic SCF valence orbitals for first transition series metals

✍ Ronald S. Strange; W. Dexter White; Russell S. Drago 📂 Article 📅 1971 🏛 Springer 🌐 English ⚖ 105 KB

Extra-atomic relaxation energies for the

Extra-atomic relaxation energies for the 3d-transition metal series obtained with SCF hole-state calculations

✍ R. Hoogewijs; L. Fiermans; J. Vennik 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 308 KB

Atomic parameters for semi-empirical SCF

Atomic parameters for semi-empirical SCF-LCAO-MO calculations

✍ J. M. Sichel; M. A. Whitehead 📂 Article 📅 1967 🏛 Springer 🌐 English ⚖ 505 KB

Gombás pseudopotential SCF calculations

Gombás pseudopotential SCF calculations for atoms

✍ W. H. Eugen Schwarz 📂 Article 📅 1972 🏛 Springer 🌐 English ⚖ 258 KB

Polarization functions for first and sec

Polarization functions for first and second row atoms in Gaussian type MO-SCF calculations

✍ B. Roos; P. Siegbahn 📂 Article 📅 1970 🏛 Springer 🌐 English ⚖ 538 KB

Analytic SCF wave functions for transiti

Analytic SCF wave functions for transition-metal atoms

✍ S. Huzinaga 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 171 KB

Anfklytic self-consistent field wave functions have been obhined for the t~it~o~-me~ stcuns in tbeir ground-state configurstions. The atomic orbit& &we bean expanded in terms of linear combinations of orbit.& from basis sets of 10 and IS Hater-type functions.