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Correlation correction to the Hartree-Fock electrostatic energy including orbital relaxation

✍ Scribed by R. Moszyński; S. Rybak; S. Cybulski; G. Chałasiński

Book ID
107734919
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
454 KB
Volume
166
Category
Article
ISSN
0009-2614

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The kinetic and the exchange energy functionals are expressed in the form T [ p ] = CTFj drp5/3(r)f.,(s) and K [ p ] = C,/drp4/3(r)fK(s), where C,, = (3/10)(3.rr2)2/3 and C , = -(3/4)(3/7~)'/~ are the Thomas-Fermi and the Dirac coefficients, respectively, and s = lVp(r)l/C, p4l3(r), with C, = 2 ( 3