AN APPROXIMATE RELATION BETWEEN ORBITAL SCF ENERGIES AND TOTAL SCF ENERGY IN MOLECULES.RUEDENBERG K.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 1; PP. 375-376; BIBL. 2 REF.Article

EFFECTIVE CONVERGENCE TO COMPLETE ORBITAL BASES AND TO THE ATOMIC HARTREE-FOCK LIMIT THROUGH SYSTEMATIC SEQUENCES OF GAUSSIAN PRIMITIVESSCHMIDT MW; RUEDENBERG K.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 10; PP. 3951-3962; BIBL. 21 REF.Article

EVEN-TEMPERED ATOMIC ORBITALS. VI. OPTIMAL ORBITAL EXPONENTS AND OPTIMAL CONTRACTIONS OF GAUSSIAN PRIMITIVES FOR HYDROGEN, CARBON, AND OXYGEN IN MOLECULES.BARDO RD; RUEDENBERG K.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 3; PP. 918-931; BIBL. 25 REF.Article

CONCERTED DIHYDROGEN EXCHANGE BETWEEN ETHANE AND ETHYLENE. SCF AND FORS CALCULATIONS OF THE BARRIERFELLER DF; SCHMIDT MW; RUEDENBERG K et al.1982; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 4; PP. 960-967; BIBL. 22 REF.Article

MOLECULAR ORBITAL BONDING CONCEPTS IN POLYATOMIC MOLECULES. A NOVEL PICTORIAL APPROACH.HOFFMAN DK; RUEDENBERG K; VERKADE JG et al.1977; STRUCT. AND BONDG; GERM.; DA. 1977; VOL. 33; PP. 57-96; BIBL. 14 REF.Article

DIMERIZATION OF CARBENE TO ETHYLENECHEUNG LM; SUNDBERG KR; RUEDENBERG K et al.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 25; PP. 8024-8025; BIBL. 3 REF.Article

Quadratic steepest descent on potential energy surfaces. II: Reaction path following without analytic HessiansJUN-QIANG SUN; RUEDENBERG, K.The Journal of chemical physics. 1993, Vol 99, Num 7, pp 5269-5275, issn 0021-9606Article

Bifurcations and transition statesVALTAZANOS, P; RUEDENBERG, K.Theoretica chimica acta. 1986, Vol 69, Num 4, pp 281-307, issn 0040-5744Article

ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVE FUNCTIONS. I: THE FORS MODELRUEDENBERG K; SCHMIDT MW; GILBERT MM et al.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 71; NO 1; PP. 41-49; BIBL. 27 REF.Article

Gradient extremals and steepest descent lines on potential energy surfacesJUN-QIANG SUN; RUEDENBERG, K.The Journal of chemical physics. 1993, Vol 98, Num 12, pp 9707-9714, issn 0021-9606Article

Potential energy surfaces of carbon dioxideXANTHEAS, S. S; RUEDENBERG, K.International journal of quantum chemistry. 1994, Vol 49, Num 4, pp 409-427, issn 0020-7608Article

Strong shifts in diabatic nondynamic electron correlations cause conical intersection between low-lying closed-shell adiabatic singlets of like symmetry in ozoneATCHITY, G. J; RUEDENBERG, K.The Journal of chemical physics. 1993, Vol 99, Num 5, pp 3790-3798, issn 0021-9606Article

Quadratic steepest descent on potential energy surfaces. I: Basic formalism and quantitative assessmentJUN-QIANG SUN; RUEDENBERG, K.The Journal of chemical physics. 1993, Vol 99, Num 7, pp 5257-5268, issn 0021-9606Article

ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVE FUNCTIONS. III: ANALYSIS OF FORS CONFIGURATIONSRUEDENBERG K; SCHMIDT MW; GILBERT MM et al.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 71; NO 1; PP. 65-78; BIBL. 21 REF.Article

Chemical deformation densities. I: Principles and formulation of quantitative determinationSCHWARZ, W. H. E; RUEDENBERG, K; MENSCHING, L et al.Journal of the American Chemical Society. 1989, Vol 111, Num 18, pp 6926-6933, issn 0002-7863, 8 p.Article

Gradient extremalsHOFFMAN, D. K; NORD, R. S; RUEDENBERG, K et al.Theoretica chimica acta. 1986, Vol 69, Num 4, pp 265-279, issn 0040-5744Article

Potential energy surfaces near intersectionsATCHITY, G. J; XANTHEAS, S. S; RUEDENBERG, K et al.The Journal of chemical physics. 1991, Vol 95, Num 3, pp 1862-1876, issn 0021-9606Article

The potential energy surface of the ground state of carbon dioxideXANTHEAS, S. S; ELBERT, S. T; RUEDENBERG, K et al.Chemical physics letters. 1990, Vol 166, Num 1, pp 39-42, issn 0009-2614, 4 p.Article

An intersection seam between the ground state of ozone and an excited state of like symmetryXANTHEAS, S; ELBERT, S. T; RUEDENBERG, K et al.The Journal of chemical physics. 1990, Vol 93, Num 10, pp 7519-7521, issn 0021-9606, 3 p.Article

Quadratic steepest descent on potential energy surfaces. III: Minima seeking along steepest descent linesJUN-QIANG SUN; RUEDENBERG, K; ATCHITY, G. J et al.The Journal of chemical physics. 1993, Vol 99, Num 7, pp 5276-5280, issn 0021-9606Article

Ring opening of cyclopropylidenes to allenes: reactions with bifurcating transition regions, free internal motions, steric hindrances, and long-range dipolar interactionsVALTAZANOS, P; ELBERT, S. T; RUEDENBERG, K et al.Journal of the American Chemical Society. 1986, Vol 108, Num 11, pp 3147-3149, issn 0002-7863Article

Generation of a full active configuration space basis in terms of symmetry- and spin-adapted antisymmetrized orbital productsLAM, M.-T. B; ELBERT, S. T; RUEDENBERG, K et al.International journal of quantum chemistry. 1987, Vol 31, Num 3, pp 489-505, issn 0020-7608Article

Representation of electronic structures in crystals in terms of highly localized quasiatomic minimal basis orbitalsLU, W. C; WANG, C. Z; CHAN, T. L et al.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 4, pp 041101.1-041101.4, issn 1098-0121Article

Chemical binding and electron correlation in diatomic molecules as described by the FORS model and the FORS-IACC modelSCHMIDT, M. W; LAM, M. T. B; ELBERT, S. T et al.Theoretica chimica acta. 1985, Vol 68, Num 1, pp 69-86, issn 0040-5744Article

Transferability of the slater-koster tight-binding scheme from an environment-dependent minimal-basis perspectiveLU, W. C; WANE, C. Z; RUEDENBERG, K et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 20, pp 205123.1-205123.8, issn 1098-0121Article