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Calculation of the exchange interactions of atoms in the paired orbital approximation. I

โœ Scribed by R. N. Musin; P. V. Schastnev


Publisher
SP MAIK Nauka/Interperiodica
Year
1977
Tongue
English
Weight
476 KB
Volume
17
Category
Article
ISSN
0022-4766

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The coupled-pair approximation in a basi
โœ Peter R. Taylor; G.B. Bacskay; N.S. Hush; A.C. Hurley ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 691 KB

A computational method based on a rapidly convergent form of the unlinked cluster expansion is presented, &&G's CoupIed-pair approximation (CPA) is derived in a basis of partially non-orthogonal orbitals which transform each palr function to diagonal form; this produces a simple (non-variational) se