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SELF-INTERACTION CORRECTIONS IN THE DENSITY FUNCTIONAL FORMALISMGUNNARSSON O; JONES RO.1981; SOLID STATE COMMUN.; ISSN 0038-1098; USA; DA. 1981; VOL. 37; NO 3; PP. 249-252; BIBL. 10 REF.Article

APPROXIMATE EXCHANGE ENERGY AS A FUNCTIONAL OF THE ELECTRON DENSITY. LIGHT ATOMSBERRONDO M; FLORES RIVEROS A.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 11; PP. 6299-6302; BIBL. 10 REF.Article

ON THE CALCULATION OF CORRELATION ENERGIES IN THE SPIN-DENSITY FUNCTIONAL FORMALISMSTOLL H; PAVLIDOU CME; PREUSS H et al.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 49; NO 2; PP. 143-149; BIBL. 15 REF.Article

ESTIMATES OF NON-LOCAL CORRECTIONS TO TOTAL, IONISATION, AND SINGLE-PARTICLE ENERGIESWILK L; VOSKO SH.1982; JOURNAL OF PHYSICS. C. SOLID STATE PHYSICS; ISSN 0022-3719; GBR; DA. 1982; VOL. 15; NO 10; PP. 2139-2150; BIBL. 29 REF.Article

DENSITY FUNCTIONAL THEORY OF 3D-TRANSITION ELEMENT ATOMS.HARRIS J; JONES RO.1978; J. CHEM. PHYS.; U.S.A.; DA. 1978; VOL. 68; NO 7; PP. 3316-3317; BIBL. 13 REF.Article

ENERGY DIFFERENCES USING AN ACCURATE LOCAL DENSITY FUNCTIONALJONES RO.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 6; PP. 3098-3101; BIBL. 30 REF.Article

CALCULATED ELECTRON AFFINITIES OF THE ELEMENTSCOLE LA; PERDEW JP.1982; PHYS. REV. A; ISSN 0556-2791; USA; DA. 1982; VOL. 25; NO 3; PP. 1265-1271; BIBL. 51 REF.Article

EXTENSIONS OF THE LSD APPROXIMATION IN DENSITY FUNCTIONAL CALCULATIONSGUNNARSSON O; JONES RO.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 10; PP. 5357-5362; BIBL. 20 REF.Article

THE SPIN-DENSITY-FUNCTIONAL FORMALISM FOR QUANTUM MECHANICAL CALCULATIONS: TEST ON DIATOMIC MOLECULES WITH AN EFFICIENT NUMERICAL METHOD.GUNNARSSON O; JOHANSSON P.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 2; PP. 307-323; ABS. FR. ALLEM.; BIBL. 1 P.Article

CORRELATION ENERGIES IN THE SPIN-DENSITY FUNCTIONAL FORMALISM. II: APPLICATIONS AND EMPIRICAL CORRECTIONSSTOLL H; GOLKA E; PREUSS H et al.1980; THEOR. CHIM. ACTA; DEU; DA. 1980; VOL. 55; NO 1; PP. 29-41; BIBL. 31 REF.Article

SPIN-DENSITY GRADIENT EXPANSION FOR THE KINETIC ENERGYOLIVER GL; PERDEW JP.1979; PHYS. REV., A; USA; DA. 1979; VOL. 20; NO 2; PP. 397-403; BIBL. 26 REF.Article

DENSITY FUNCTIONAL THEORY OF AUTODETACHING STATESPERDEW JP; ROSE JH; SHORE HB et al.1981; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1981; VOL. 14; NO 7; PP. L233-L236; BIBL. 19 REF.Article

PSEUDOPOTENTIAL CALCULATIONS ON P₂, P₂⁺, P₄ AND P₄H⁺WEDIG U; STOLL H; PREUSS H et al.1981; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1981; VOL. 61; NO 1-2; PP. 117-123; BIBL. 26 REF.Article

A COMPARISON OF SPIN-DENSITY FUNCTIONAL CALCULATIONS FOR THE KNIGHT SHIFT IN MG = COMPARAISON DES CALCULS DE FONCTIONNELLE DE DENSITE DE SPIN POUR LE DEPLACEMENT DE KNIGHT DANS MGNUSAIR M; WILK L; VOSKO SH et al.1981; J. PHYS. F; ISSN 0305-4608; GBR; DA. 1981; VOL. 11; NO 8; PP. 1683-1690; BIBL. 27 REF.Article

Atomic and molecular orbital electronegativity models based on the transition state and transition operator approachesSCHMIDT, P. C; BÖHM, M. C.Berichte der Bunsengesellschaft für Physikalische Chemie. 1983, Vol 87, Num 10, pp 925-932, issn 0005-9021Article

Magnetic susceptibility of ferromagnetic metals: application to nickel = Susceptibilité magnétique des métaux ferromagnétiques: application au nickelCALLAWAY, J; CHATTERJEE, A. K; SINGHAL, S. P et al.Physical review. B, Condensed matter. 1983, Vol 28, Num 7, pp 3818-3830, issn 0163-1829Article

MOLECULAR BONDING IN GROUP IIA DIMERS BE₂-BA₂JONES RO.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 3; PP. 1300-1308; BIBL. 38 REF.Article

COMBINATION OF PSEUDOPOTENTIALS AND DENSITY FUNCTIONALSPREUSS H; STOLL H; WEDIG U et al.1981; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1981; VOL. 19; NO 1; PP. 113-130; ABS. FRE/GER; BIBL. 39 REF.Article

TOTAL ENERGIES OF MOLECULES WITH THE LOCAL DENSITY FUNCTIONAL APPROXIMATION AND GAUSSIAN BASIS SETSKITAURA K; SATOKO C; MOROKUMA K et al.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 65; NO 2; PP. 206-211; BIBL. 17 REF.Article

The geometric and electronic structure of small copper clusters Cu_n and Cu_n⁺ (n=1-3) by an effective core potential methodSHENG-WEI WANG.The Journal of chemical physics. 1985, Vol 82, Num 10, pp 4633-4640, issn 0021-9606Article