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Gradient expansion of the kinetic energy including nonlocal exchange contributions

โœ Scribed by Schweitzer, Ch. ;Dreizler, R. M.

Publisher
Springer
Year
1985
Tongue
English
Weight
338 KB
Volume
321
Category
Article
ISSN
1434-601X

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๐Ÿ“œ SIMILAR VOLUMES

Gradient expansion of the atomic kinetic
Gradient expansion of the atomic kinetic energy functional
โœ Wen-Ping Wang; Robert G. Parr; Danny R. Murphy; George A. Henderson ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 368 KB

It IS dcmonstratcd th.!t the ground-state atomic kinetic energy functlonal T[p] , wluxe p is the electron density, can bc computed to surprrsing accuracy from the truncated gradient cupanslon: T[p] = To[pJ + Tz [p] f Tq[pj, wrth To[p] = 1\_:(3n2)2'3 1~"~ dT. Tz[P] = +2 JW/J)~P-~ dr, and 'T,4 [p] giv