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PARTNER ORBITALS IN HARTREE-FOCK THEORYHIRAO K.1980; BULL. CHEM. SOC. JPN.; ISSN 0009-2673; JPN; DA. 1980; VOL. 53; NO 8; PP. 2152-2158; BIBL. 12 REF.Article

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COUNTERINTUITIVE ORBITAL MIXING IN SEMIEMPIRICAL AND AB INITIO MOLECULAR ORBITAL CALCULATIONS.AMMETER JH; BURGI HB; THIBEAULT JC et al.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 12; PP. 3686-3692; BIBL. 27 REF.Article

ACCELERATED CONVERGENCE IN SCF CALCULATIONS AND THE LEVEL SHIFTING TECHNIQUE.SANKAR PRASAD BHATTACHARYYA.1978; CHEM. PHYS. LETTERS; NLD; DA. 1978; VOL. 56; NO 2; PP. 395-398; BIBL. 5 REF.Article

IVO AND EQUIVALENT CORES TYPE CALCULATIONS ON THE 1S SHAKE-UP SPECTRUM OF WATER.WAHLGREN U.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 4; PP. 1109-1117; BIBL. 23 REF.Article

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IMPROVED VIRTUAL ORBITALS IN THE POTENTIAL OF THE SCF ION.HIRAO K; HUZINAGA S.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 45; NO 1; PP. 55-58; BIBL. 9 REF.Article

IMPROVED VIRTUAL ORBITALS IN PERTURBATIVE CALCULATIONS: THE CASE OF AN AVERAGE DOUBLE-HOLE POTENTIAL MODELBANERJEE M; BHATTACHARYYA SP.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 90; NO 3; PP. 211-214; BIBL. 16 REF.Article

THE SPIN-COUPLED VALENCE BOND THEORY OF MOLECULAR ELECTRONIC STRUCTURE. I: BASIC THEORY AND APPLICATION TO THE ²SIGMA ⁺ STATES OF BE HGERRATT J; RAIMONDI M.1980; PROC. R. SOC. LOND., SER. A., MATH. PHYS. SCI.; ISSN 0080-4630; GBR; DA. 1980; VOL. 371; NO 1747; PP. 525-552; BIBL. 39 REF.Article

APPROXIMATION DU COEUR IONIQUE DANS LES CALCULS DES ETATS EXCITES DES ATOMESZELICHENKO VM; SAMSONOV BF; CHEGLOKOV EI et al.1980; IZV. VYSS. UCEBN. ZAVED., FIZ.; ISSN 0021-3411; SUN; DA. 1980; VOL. 23; NO 6; PP. 71-77; BIBL. 14 REF.Article

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CALCULATION OF THE CARBON-13 NMR CHEMICAL SHIFTS OF SOME ORGANIC COMPOUNDS USING THE IMPROVED VIRTUAL ORBITAL METHODKONDO M; ANDO I.1978; BULL. CHEM. SOC. JAP.; JPN; DA. 1978; VOL. 51; NO 7; PP. 2072-2076; BIBL. 12 REF.Article

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AN L² CALCULATION OF THE 1S AND 2S PHOTOIONIZATION CROSS SECTIONS OF NEMARTIN RL; DAASCH WR; DAVIDSON ER et al.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 6; PP. 2375-2380; BIBL. 18 REF.Article

IMPROVED VIRTUAL ORBITALS IN THE EXTENDED BASIS FUNCTION SPACE.HUZINAGA S; HIRAO K.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 5; PP. 2157-2160; BIBL. 11 REF.Article

AN ALGORITHM FOR THE CONSTRUCTION OF FULLY SYMMETRY ADAPTED FOCK MATRICES FOR MOLECULAR HARTREE-FOCK CALCULATIONS.BAGUS PS; WAHLGREN UI.1977; COMPUTERS AND CHEM.; G.B.; DA. 1977; VOL. 1; NO 2; PP. 95-101; BIBL. 20 REF.Article

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AN AVERAGE "HOLE-POTENTIAL" METHOD FOR STUDYING PROPERTIES OF MOLECULES IN EXCITED STATES: A TEST CALCULATION ON THIOPHOSGENESANKAR PRASAD BHATTACHARYYA BANERJEE M.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 75; NO 1; PP. 57-61; BIBL. 17 REF.Article

MODIFICATION OF VIRTUAL ORBITALSBEEBE NHF.1979; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1979; VOL. 15; NO 6; PP. 589-600; ABS. FRE/GER; BIBL. 22 REF.Article

Extended floating spherical Gaussian basis sets for molecules: alternative correlating orbitals for molecular energy calculationsADAMOWICZ, L; BARTLETT, R. J.Chemical physics letters. 1984, Vol 110, Num 4, pp 361-364, issn 0009-2614Article

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APPLICATION DE LA THEORIE DE PERTURBATION AUX INTERACTIONS LOCALES DANS LES MOLECULES: COUPLAGE SIGMA -PI DANS LES TRANSITIONS PI PI * ET CONSTANTES DE COUPLAGE EN RESONANCE MAGNETIQUE NUCLEAIRE.DENIS A.1976; AO-CNRS-13000; FR.; DA. 1976; PP. (204P.); BIBL. DISSEM.; (THESE DOCT. ES SCI. PHYS.; PIERRE ET MARIE CURIE PARIS 6)Thesis

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