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Results 1 to 25 of 113

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CLUSTER EXPANSION OF THE WAVEFUNCTION. SYMMETRY-ADAPTED-CLUSTER EXPANSION, ITS VARIATIONAL DETERMINATION, AND EXTENSION OF OPEN-SHELL ORBITAL THEORY.NAKATSUJI H; HIRAO K.1978; J. CHEM. PHYS.; U.S.A.; DA. 1978; VOL. 68; NO 5; PP. 2053-2065; BIBL. 35 REF.Article

A SIMPLE HARMONIC OSCILLATOR MODEL FOR PARAMAGNETISM IN A CLOSED SHELL SYSTEM.HARRIS RA.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 48; NO 3; PP. 455-456; BIBL. 1 REF.Article

ALGORITHME SIMPLE GARANTISSANT LA CONVERGENCE DE LA SOLUTION DES EQUATIONS SCF LCAO MO POUR LES COUCHES ELECTRONIQUES FERMEESBAGATUR'YANTS AA; KORSUNOV VA; CHUVYLKIN ND et al.1979; Z. FIZ. HIM.; ISSN 0044-4537; SUN; DA. 1979; VOL. 53; NO 9; PP. 2340-2341; BIBL. 20 REF.Article

COMMENT ON A RECENTLY PROPOSED LEVEL SHIFT METHOD.FIRSHT D.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 52; NO 2; PP. 292-294; BIBL. 8 REF.Article

COMMENT ON "INTRINSIC CONVERGENCE IN CLOSE-SHELL SCF CALCULATIONS. A GENERAL CIRTERION"FACELLI JC; CONTRERAS RH.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 77; NO 2; PP. 1076-1077; BIBL. 15 REF.Article

THE DISPLACEMENT OF MOLECULAR ORBITALS DUE TO INTERACTION WITH CHARGED SPECIESBIGELOW RW.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 70; NO 6; PP. 3139-3140; BIBL. 25 REF.Article

HARTREE-FOCK DENSITY MATRIX EQUATION.COHEN L; FRISHBERG C.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 10; PP. 4234-4238; BIBL. 10 REF.Article

INNER PRODUCT REPRESENTATIONS OF MANY-ELECTRON INTEGRALS.OKNINSKI A.1976; BULL. ACAD. POLON. SCI., SCI. CHIM.; POLOGNE; DA. 1976; VOL. 24; NO 4; PP. 263-266; ABS. RUSSE; BIBL. 8 REF.Article

ORTHOGONALLY-SPIN-ADAPTED COUPLED-CLUSTER THEORY FOR CLOSED-SHELL SYSTEMS INCLUDING TRIEXCITED CLUSTERSADAMS BG; PALDUS J.1979; PHYS. REV., A; USA; DA. 1979; VOL. 20; NO 1; PP. 1-17; BIBL. 32 REF.Article

A RESPONSE-FUNCTION APPROACH TO THE DIRECT CALCULATION OF THE TRANSITION-ENERGY IN A MULTIPLE-CLUSTER EXPANSION FORMALISMMUKHERJEE D; MUKHERJEE PK.1979; CHEM. PHYS.; NLD; DA. 1979; VOL. 39; NO 3; PP. 325-335; BIBL. 25 REF.Article

EXCHANGE POLARIZATION EFFECTS IN THE INTERACTION OF CLOSED-SHELL SYSTEMS. THE BERYLLIUM-BERYLLIUM INTERACTION.CHALASINSKI G; JEZIORSKI B.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 46; NO 4; PP. 277-290; BIBL. 44 REF.Article

APPLICATION OF GRAPHICAL METHODS OF SPIN ALGEBRAS TO LIMITED CI APPROACHES. I. CLOSED SHELL CASE.PALDUS J; ADAMS BG; CIZEK J et al.1977; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1977; VOL. 11; NO 5; PP. 813-848; ABS. FR. ALLEM.; BIBL. 1 P. 1/2Article

THE EXISTENCE AND CURE OF INTRINSIC DIVERGENCE IN CLOSED SHELL SCF CALCULATIONSSTANTON RE.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 75; NO 7; PP. 3426-3432; BIBL. 21 REF.Article

MOMENTUM EIGENFUNCTIONS IN THE COMPLEX MOMENTUM PLANE. III: HARTREE-FOCK FUNCTIONSHUO WM; LASSETTRE EN.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 4; PP. 2374-2383; BIBL. 33 REF.Article

ON THE EVALUATION OF MATRIX ELEMENTS OF SYMMETRY OPERATORS IN A DETERMINANTAL BASISVANQUICKENBORNE LG; CEULEMANS A.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 75; NO 3; PP. 494-496; BIBL. 5 REF.Article

CLUSTER EXPANSION OF THE WAVEFUNCTION. STRUCTURE OF THE CLOSED-SHELL ORBITAL THEORYHIRAO K; NAKATSUJI H.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 10; PP. 4535-4547; BIBL. 41 REF.Article

A CONSTRAINED ROOTHAAN-HARTREE-FOCK METHODZEISS GD; WHITEHEAD MA.1983; CANADIAN JOURNAL OF CHEMISTRY; ISSN 0008-4042; CAN; DA. 1983; VOL. 61; NO 1; PP. 128-134; ABS. FRE; BIBL. 80 REF.Article

CIRCULANT ORBITALS FOR ATOMS AND MOLECULESPARR RG; MIN BO CHEN.1981; PROC. NATL. ACAD. SCI. U.S.A., PHYS. SCI.; ISSN 0273-1142; USA; DA. 1981; VOL. 78; NO 3; PP. 1323-1326; BIBL. 6 REF.Article

THE COUPLED-CLUSTER METHOD WITH A MULTICONFIGURATION REFERENCE STATEAJIT BANERJEE; SIMONS J.1981; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1981; VOL. 19; NO 2; PP. 207-216; ABS. FRE/GER; BIBL. 11 REF.Article

CRITICAL TEST OF EQUATION-OF-MOTION-GREEN'S FUNCTION METHODS. I: THEORY OF HIGHER ORDER TERMSHERMAN MF; FREED KF; YEAGER DL et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 1; PP. 602-610; BIBL. 28 REF.Article

DISPERSION ENERGY BETWEEN CLOSED-SHELL AND HALF-CLOSED-SHELL MOLECULES. AN AB INITIO CALCULATION FROM A PERTURBATION PROCEDURE ON LIHESEGER G; KOCHANSKI E.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 76; NO 3; PP. 568-572; BIBL. 19 REF.Article

THE CALCULATION OF SECOND-ORDER MOLECULAR PROPERTIES AT THE CONFIGURATION INTERACTION LEVEL OF ACCURACYDABORN GT; FERGUSON WI; HANDY NC et al.1980; CHEM. PHYS.; NLD; DA. 1980; VOL. 50; NO 2; PP. 255-263; BIBL. 25 REF.Article

STRUCTURE ALGEBRIQUE DES MATRICES DENSITE DE FERMIONSDYADYUSHA GG; KRYACHKO ES.1979; FIZ. MOLEK.; UKR; DA. 1979; NO 7; PP. 3-33; ABS. ENG; BIBL. 35 REF.Article

ELECTRON DENSITY AND DENSITY MATRIX APPROXIMATIONS USING POTENTIAL ENERGY ERROR BOUNDSPAKKANEN TA; WHITTEN JL.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 5; PP. 2168-2174; BIBL. 6 REF.Article

ONE-ELECTRON PROPERTIES AS VARIATIONAL PARAMETERS.HENDERSON GA; ZIMMERMAN RK JR.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 2; PP. 619-622; BIBL. 26 REF.Article

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