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DENSITY-FUNCTIONAL APPROACH TO LOCAL-FIELD EFFECTS IN FINITE SYSTEMS: PHOTOABSORPTION IN THE RARE GASESZANGWILL A; SOVEN P.1980; PHYS. REV. A; USA; DA. 1980; VOL. 21; NO 5; PP. 1561-1572; BIBL. 57 REF.Article

A ONE-TO-ONE MAPPING BETWEEN ONE-PARTICLE DENSITIES AND SOME N-PARTICLE ENSEMBLESVALONE SM.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 9; PP. 4653-4655; BIBL. 15 REF.Article

ELECTRONEGATIVITY: THE DENSITY FUNCTIONAL VIEWPOINT.PARR RG; DONNELLY RA; LEVY M et al.1978; J. CHEM. PHYS.; U.S.A.; DA. 1978; VOL. 68; NO 8; PP. 3801-3807; BIBL. 34 REF.Article

GRADIENT EXPANSION OF THE KINETIC ENERGY DENSITY FUNCTIONAL: LOCAL BEHAVIOR OF THE KINETIC ENERGY DENSITYMURPHY DR; PARR RG.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 60; NO 3; PP. 377-379; BIBL. 10 REF.Article

ON THE FIRST PRINCIPLES HARTREE-FOCK AND LOCAL DENSITY PSEUDOPOTENTIALS.ZUNGER A; RATNER MA.1978; CHEM. PHYS.; NETHERL.; DA. 1978; VOL. 30; NO 3; PP. 423-443; BIBL. 1 P. 1/2Article

RELATIVISTIC GRADIENT EXPANSION OF THE KINETIC ENERGY DENSITYGROSS EKU; DREIZLER RM.1981; PHYS. LETT. SECT. A; ISSN 0375-9601; NLD; DA. 1981; VOL. 81; NO 8; PP. 447-450; BIBL. 25 REF.Article

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