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Results 1 to 25 of 185

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ANTISYMETRISATION DES FONCTIONS D'ONDE A L'APPROXIMATION DE LA METHODE DES FONCTIONS DE GROUPELYAST I TS.1975; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1975; VOL. 16; NO 3; PP. 379-384; BIBL. 8 REF.Article

STUDIES IN ELECTRONEGATIVITY. II. COMPARISON OF THE OCEE AND THE CNDO SCHEMES.VOIGT B.1974; ACTA CHEM. SCAND., A; DANEM.; DA. 1974; VOL. 28; NO 10; PP. 1043-1046; BIBL. 8 REF.Article

HUND'S RULES REFORMULATED AS INEQUALITIES AND SOME RELATED INEQUALITIES FOR EXCHANGE INTEGRALS, SLATER-CONDON PARAMETERS ENERGY DIFFERENCES AND CORRELATION ENERGIES.COLPA JP.1974; MOLEC. PHYS.; G.B.; DA. 1974; VOL. 28; NO 2; PP. 581-585; BIBL. 12 REF.Article

EVALUATION OF INTEGRALS REQUIRED IN SCATTERING THEORY. II. EXCHANGE TYPE INTEGRALSLYONS JD; NESBET RK.1973; J. COMPUT. PHYS.; U.S.A.; DA. 1973; VOL. 11; NO 2; PP. 166-189; BIBL. 8 REF.Serial Issue

CALCULATION OF THE EXCHANGE INTEGRALS IN SOLID 3HEAVILOV VV; IORDANSKY SV.1982; JOURNAL OF LOW TEMPERATURE PHYSICS; ISSN 0022-2291; USA; DA. 1982; VOL. 48; NO 3-4; PP. 241-256; BIBL. 14 REF.Article

EVALUATION DE L'INTEGRALE D'ECHANGE DE L'INTERACTION ANTIFERROMAGNETIQUE ENTRE LES ATOMES DE FER DANS LE CENTRE ACTIF DES FERRODOXINESBURBAEV D SH; LEBANIDZE AV.1979; BIOFIZIKA; SUN; DA. 1979; VOL. 24; NO 3; PP. 392-395; ABS. ENG; BIBL. 11 REF.Article

A MODIFIED H0 FOR EPSTEIN-NESBET RAYLEIGH-SCHROEDINGER PERTURBATION THEORYDAVIDSON ER; NITZCHE LE; MCMURCHIE LE et al.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 62; NO 3; PP. 467-468; BIBL. 4 REF.Article

ELECTRONIC CORRELATION STUDIES. III. SELF-CORRELATED FIELD METHOD. APPLICATION TO 2S GROUND STATE AND 2P EXCITED STATE OF THREE-ELECTRON ATOMIC SYSTEMS.LISSILLOUR R; GUERILLOT CR.1975; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1975; VOL. 9; NO 4; PP. 627-634; ABS. FR. ALLEM.; BIBL. 14 REF.Article

DEDUCTION D'UNE EXPRESSION EXACTE DE L'INTEGRALE D'ECHANGE A 3 CENTRES ET DEUX ELECTRONSARTAMONOV LV; GREKHOV AM; ROJTSIN AB et al.1978; UKRAIN. FIZ. ZH.; S.S.S.R.; DA. 1978; VOL. 23; NO 2; PP. 215-223; ABS. ANGL.; BIBL. 1 P.Article

ANALYTICAL EVALUATION OF MULTICENTER INTEGRALS FOR SLATER-TYPE ORBITALS. III. TWO-CENTER EXCHANGE INTEGRALS.GUSEINOV II.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 11; PP. 4722-4723; BIBL. 8 REF.Article

COMPUTER-GENERATED FORMULAS FOR OVERLAP INTEGRALS OF SLATER-TYPE ORBITALSJONES HW.1980; INT. J. QUANTUM. CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 18; NO 3; PP. 709-713; ABS. FRE/GER; BIBL. 19 REF.Article

THE ANTISYMMETRIZED PRODUCT OF WEAK NONORTHOGONAL GEMINALS.LYAST IT.1978; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1978; VOL. 13; NO 1; PP. 83-88; ABS. FRE/GER; BIBL. 17 REF.Article

LES COEFFICIENTS FK ET GK DANS LA THEORIE DES DIAGRAMMES ATOMIQUES DE FEYNMAN EN PRESENCE DE QUELQUES COUCHES OUVERTESOBUKHOV AV.1977; IZVEST. VYSSH. UCHEBN. ZAVED., FIZ.; S.S.S.R.; DA. 1977; VOL. 20; NO 3; PP. 109-112; BIBL. 8 REF.Article

EVALUATION OF EXCHANGE MATRIX ELEMENTS WITH MOMENTUM TRANSFER FOR ION-ATOM COLLISIONSSAHA HP; SIL NC.1979; J. PHYS. B; GBR; DA. 1979; VOL. 12; NO 4; PP. 585-594; BIBL. 8 REF.Article

CALCUL ANALYTIQUE DES INTEGRALES MONOCENTRIQUES DE COULOMB ET BICENTRIQUES D'ECHANGE A L'AIDE DU FACTEUR DE CORRELATION R12KGUSEJNOV II; MURSALOV TM.1976; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1976; VOL. 17; NO 6; PP. 1117-1118; BIBL. 5 REF.Article

CONTINUUM EXCHANGE INTEGRALS FOR ALGEBRAIC VARIATIONAL CALCULATIONS OF ELECTRON-ATOM SCATTERING USING SLATER-TYPE ORBITALS AS BASIC FUNCTIONS.ABDALLAH J JR; TRUHLAR DG.1975; COMPUTER PHYS. COMMUNIC.; NETHERL.; DA. 1975; VOL. 9; NO 5; PP. 327-336; BIBL. 11 REF.Article

An upper bound to the exchange integral for Coulomb interactionsPATHAK, R. K.The Journal of chemical physics. 1984, Vol 80, Num 1, pp 583-584, issn 0021-9606Article

Inverse problems in the mass calculations of atomic parametersGORCHAKOV, L. V.Physica scripta (Print). 1993, Vol 48, Num 6, pp 668-674, issn 0031-8949Article

J-integral concept for multi-phase materialsWEICHERT, D; SCHULZ, M.Computational materials science. 1993, Vol 1, Num 3, pp 241-248, issn 0927-0256Conference Paper

Approximate calculation of the matrix elements of Coulomb and exchange operators for the «core» electrons of the atoms K through ZnMONTAGNANI, R; SALVETTI, O.Theoretica chimica acta. 1984, Vol 65, Num 3, pp 159-166, issn 0040-5744Article

On a possible antiferromagnetic-to-ferromagnetic transition in terms of the slab thicknessNAIT-LAZIZ, H; DEMANGEAT, C.Applied surface science. 1993, Vol 65-66, pp 165-169, issn 0169-4332Conference Paper

UNIFIED ANALYTICAL EVALUATION OF TWO-CENTER, TWO-ELECTRON INTEGRALS OVER SLATER-TYPE ORBITALSYASUL J; SAIKA A.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 1; PP. 468-472; BIBL. 8 REF.Article

STRUCTURE ELECTRONIQUE DE LA MOLECULE NI2ZAJTSEVSKIJ AV; TOPOL IA; DZEVITSKIJ B EH et al.1982; Z. FIZ. HIM.; ISSN 0044-4537; SUN; DA. 1982; VOL. 56; NO 4; PP. 769-776; BIBL. 24 REF.Article

SUBROUTINES FOR THE EVALUATION OF EXCHANGE INTEGRALS IN THE IMPACT PARAMETER FORMULATION OF ATOMIC CHARGE TRANSFER COLLISIONSNOBLE CJ.1980; COMPUT. PHYS. COMMUN.; ISSN 0010-4655; NLD; DA. 1980; VOL. 19; NO 3; PP. 327-335; BIBL. 13 REF.Article

LOW TEMPERATURE MAGNETIC PROPERTIES OF TRINUCLEAR RUTHENIUM(III, IV) COMPLEXESMROZINSKI J; GROBELNY R; JEZOWSKA TRZEBIATOWSKA B et al.1978; BULL. ACAD. POLON. SCI., SCI. CHIM.; POL; DA. 1978; VOL. 26; NO 4; PP. 311-316; ABS. RUS; BIBL. 20 REF.Article

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