Density functional theory with approximate kinetic energy functionals applied to hydrogen bonds
نویسنده
چکیده
Applicability of the approximate kinetic energy functionals to study hydrogen-bonded systems by means of the formalism of Kohn–Sham equations with constrained electron density KSCED Cortona, Phys. Rev. B 44, 8454 1991 ; Wesołowski and Warshel, J. Phys. Chem. 97, 805
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تاریخ انتشار 2008