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Local pseudopotential theory for transition metals

โœ Scribed by Starkloff, Th.; Joannopoulos, J. D.


Book ID
125524685
Publisher
The American Physical Society
Year
1977
Tongue
English
Weight
328 KB
Volume
16
Category
Article
ISSN
1098-0121

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A pscudopotcnhal tcchquc IS prcscntcd IO bc used w~lli P smglc lunctron constructed from three pruu~l~c GTOs for the rcprcxntatlon of d orbrtals of tiansltron-metal atoms. Apphcd to Cu, Cuz. and CUT, It has pcrmlttcd 3 ruducllon In the number of 3d-type CT0 prunwcs without reducmg the quabty of the