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On the applicability of the Roothaan-Bagus procedure

โœ Scribed by P. Tsilimigras

Book ID
103008593
Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
128 KB
Volume
11
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The applicability of the R&othan-Ragus procedure for the SCF pseudo eigenvahe pnobkm is discussed for the case of the existence of a two dimensionai nuU space of a matrix. found in this procedure.

๐Ÿ“œ SIMILAR VOLUMES

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It is noted that two kinds of basis spinors (the unified and the separated basis spinors) employed in Dirac-Fock-Roothaan calculations are equivalent. For large components of the basis spinors the separated basis spinors take simpler forms than the unified ones while for small components the reverse