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Adiabatic integration formula for the correlation energy functional of the Hartree–Fock density

✍ Scribed by Stanislav Ivanov; Mel Levy

Book ID
105887293
Publisher
Springer
Year
1999
Tongue
English
Weight
133 KB
Volume
103
Category
Article
ISSN
1432-2234

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On the conjoint gradient correction to t
On the conjoint gradient correction to the Hartree—Fock kinetic and exchange energy density functionals
✍ José L. Gázquez; Juvencio Robles 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 266 KB 👁 1 views

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