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Direct construction of localized orbitals from the self-consistent fock-dirac density matrix

โœ Scribed by A. V. Luzanov


Book ID
104923056
Publisher
SP MAIK Nauka/Interperiodica
Year
1981
Tongue
English
Weight
463 KB
Volume
21
Category
Article
ISSN
0022-4766

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Thu orbital cquatlons for the direct construction of loc.~lizcd flxcd orbit& by multrconfiguration scIf-consistent field theory (hlCSC1 -FXO) arc trnnsformcd without dpproximJtu\_nl mto pseudopotcntwl form by a two-step process. First t11c utlhlation of ;I p,Mlcular tamely of loc.kation potcntl.d\ i