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Energy density functional theory

Wang Y A and Carter E A 2000 Orbital-free kinetic-energy density functional theory Theoretical Methods in Condensed Phase Chemistry (Progress in Theoretical Chemistry and Physics Series) ed S D Schwartz (Boston Kluwer) pp 117-84... [Pg.2232]

Kryachko E. S., Ludena E. V., "Energy Density Functional Theory of Many-Electron Systems" Kluwer, Dordrecht, 1990. [Pg.243]

E.S. Kryachko and E.V. Ludena Energy Density Functional Theory of... [Pg.344]

See for example, Jones, R., and Gunnarsson, O. Rev. Mod. Phys. 61, 689 (1990) Parr, R.G., and Yang, W. (1990), Density Functional Theory of Atoms and Molecules, Oxford University Press, New York Kryachko, E.S., and Ludena, E.V. Energy Density Functional Theory of Many Electron Systems Kluwer Academic Publishers, 1990 Callaway, J., and March, N.H. Solid State Phys. 38, 135 (1984). [Pg.225]

Kryachko ES, Ludena EV (1990) Energy density functional theory of many-electron systems. Kluwer Academic Publishers, Dordrecht. [Pg.222]

R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules, Oxford University Press, Oxford, 1989 E. S. Kryachko and E. V. Ludena, Energy Density Functional Theory of Many-Electron Systems, Kluwer, Dordrecht, 1990. [Pg.424]

ORBITAL-FREE KENETIC-ENERGY DENSITY FUNCTIONAL THEORY... [Pg.117]

Orbital-free kinetic-energy density functional theory 119... [Pg.119]

Orbital-free Mnetic-energy density functional theory 161... [Pg.161]


See other pages where Energy density functional theory is mentioned: [Pg.122]    [Pg.217]   
See also in sourсe #XX -- [ Pg.167 ]




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