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Results 1 to 25 of 118

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GREEN'S FUNCTION APPROACH TO THE DIRECT PERTURBATION CALCULATION OF THE EXCITATION ENERGIES OF CLOSED SHELL FERMION SYSTEMS.PALDUS J; CIZEK J.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 1; PP. 149-163; BIBL. 38 REF.Article

SPIN-FREE WAVE FUNCTIONS IN MANY-ELECTRON PERTURBATION THEORY. I. CLOSED-SHELL SYSTEMS.TAI ICHI SHIBUYA; SINANOGLU O.1973; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1973; VOL. 7; NO 6; PP. 1145-1158; ABS. FR. ALLEM.; BIBL. 16 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

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

TIME-INDEPENDENT DIAGRAMMATIC APPROACH TO PERTURBATION THEORY OF FERMION SYSTEMS.PALDUS J; CIZEK J.1975; ADV. QUANTUM CHEM.; U.S.A.; DA. 1975; VOL. 9; PP. 105-197; BIBL. 1 P. 1/2Article

SELECTIVE SUMMATION IN GENERALIZED PERTURBED HARTREE-FOCK THEORYMCDOWELL K.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 11; PP. 5427-5440; BIBL. 26 REF.Article

DIAGRAMMATIC MANY-BODY PERTURBATION EXPANSION FOR ATOMS AND MOLECULES. V: FOURTH-ORDER LINKED DIAGRAMS INVOLVING TRIPLY-EXCITED STATESWILSON S; SAUNDERS VR.1980; COMPUT. PHYS. COMMUN.; ISSN 0010-4655; NLD; DA. 1980; VOL. 19; NO 3; PP. 293-297; BIBL. 19 REF.Article

SPIN-FREE QUANTUM CHEMISTRY. XXI: HARTREE-FOCK THEORYMATSEN FA; NELIN CJ.1979; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1979; VOL. 15; NO 2; PP. 751-767; ABS. FRE/GER; BIBL. 18 REF.Article

AN ALGORITHM TO SOLVE OPEN AND CLOSED-SHELL AND RESTRICTED MC-SCF EQUATIONSHINZE J; YURTSEVER E.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 70; NO 7; PP. 3188-3190; BIBL. 10 REF.Article

PROGRAMME DE RESOLUTION DES EQUATIONS DE HARTREE-FOCK-ROOTHAAN POUR DES SYSTEMES A COUCHES COMPLETES ET INCOMPLETES PAR LA METHODE DE ROOTHAAN, DANS LES VARIANTES D'HAMILTONIEN COMBINE ET HAMILTONIENS DIFFERENTSBOZHENKO KV; KLIMENKO NM; CHARKIN OP et al.1976; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1976; VOL. 17; NO 3; PP. 547-548; BIBL. 6 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

CHARGE-TRANSFER ENERGY IN CLOSED-SHELL ION-ATOM INTERACTIONS.ALVAREZ RIZZATTI M; MASON EA.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 63; NO 12; PP. 5290-5295; BIBL. 18 REF.Article

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

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