Interesting properties of Thomas-fermi kinetic and parr electron-electron-repulsion DFT energy functional generated compact one-electron density approximation for ground-state electronic energy of molecular systems. (English)
J. Comput. Chem. 30, No. 9, 1445-1453 (2009).
1
Fitting atomic correlation parameters for RECEP (rapid estimation of correlation energy from partial charges) method to estimate molecular correlation energies within chemical accuracy. (English)
J. Comput. Chem. 22, No. 2, 241-254 (2001).
2
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