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A SYSTEMATIC CI PROCEDURE WITH MODIFIED VIRTUAL ORBITALSCOOPER IL; POUNDER CNM.1980; J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1980; VOL. 1; NO 1; PP. 69-75; BIBL. 24 REF.Article

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

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

THE CONSTRUCTION OF MODIFIED VIRTUAL ORBITALS (MVO'S) WHICH ARE SUITED FOR CONFIGURATION INTERACTION CALCULATIONSBAUSCHLICHER CW JR.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 2; PP. 880-885; BIBL. 14 REF.Article

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

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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

A COMPARATIVE STUDY OF THE CONVERGENCE CHARACTERISTICS OF MODIFIED VIRTUAL ORBITALS WITHIN AN ORBITALLY ORDERED CL^- EXPANSIONCOOPER IL; POUNDER CNM.1982; JOURNAL OF CHEMICAL PHYSICS; ISSN 0021-9606; USA; DA. 1982; VOL. 77; NO 10; PP. 5045-5052; BIBL. 16 REF.Article

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

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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

THE LOW-LYING EXCITED STATES OF WATER, METHANOL, AND DIMETHYL ETHER.WADT WR; GODDARD WA III.1976; CHEM. PHYS.; NETHERL.; DA. 1976; VOL. 18; NO 1-2; PP. 1-11; BIBL. 39 REF.Article

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A SIMPLE EXTENSION OF THE EXTERNAL MAGNASCO-PERICO LOCALIZATION PROCEDURE TO THE VIRTUAL MO-SPACEBOEHM MC.1981; THEOR. CHIM. ACTA; ISSN 0040-5477; DEU; DA. 1981; VOL. 59; NO 6; PP. 609-624; BIBL. 21 REF.Article

OXYGEN K HOLE PHOTOIONIZATION CROSS SECTION OF CO₂DAASCH WR; DAVIDSON ER; HAZI AU et al.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 12; PP. 6031-6036; BIBL. 9 REF.Article

ATOMIC MANY-BODY PERTURBATION THEORY USING RADIALLY RESTRICTED BASIS FUNCTIONSYOUNGER SM.1980; PHYS. REV. A; USA; DA. 1980; VOL. 21; NO 5; PP. 1364-1375; BIBL. 27 REF.Article

CALCULATION OF THE EXCITED STATES OF H₂S, PH₃ AND SIH₄ BY THE ONE-CENTER EXPANSION APPROXIMATION.HATANO Y.1978; CHEM. PHYS. LETTERS; NLD; DA. 1978; VOL. 56; NO 2; PP. 314-317; BIBL. 20 REF.Article

The Hartree-Fock potential and its use in perturbation theoryUYLINGS, P. H. M.Journal of physics. B. Atomic, molecular and optical physics (Print). 1993, Vol 26, Num 17, pp 2743-2753, issn 0953-4075Article

Interaction-optimized virtual orbitals. I: External double excitationsLUKEN, W. L; SEIDERS, B. A. B.Chemical physics. 1985, Vol 92, Num 2-3, pp 235-246, issn 0301-0104Article

Modified virtual orbitals (MVO) in limitedc CI calculationsWASILEWSKI, J.International journal of quantum chemistry. 1991, Vol 39, Num 5, pp 649-656, issn 0020-7608, 8 p.Article