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Pseudopotential calculations using the FSGO method: Applications to first-row hydrides

โœ Scribed by S. Topiol; A. A. Frost; M. A. Ratner; J. W. Moskowitz; C. F. Melius

Publisher
Springer
Year
1977
Tongue
English
Weight
15 KB
Volume
46
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES

The use of pseudopotentials within local
The use of pseudopotentials within local-density formalism calculations for atoms: Some results for the first row
โœ Sid Topiol; Alex Zunger; M.A. Ratner ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 460 KB

The use ofa pseudopotential to replace the core electron density within electronic structure calculations of Kohn-Sham type is proposed. An heuristic derivation of such a potential is given. Within the local exchange-correlation scheme, the pseudopotential employed is precisely equivalent to solving