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The restricted active space self-consistent-field method, implemented with a split graph unitary group approachMALMQVIST, P.-Å; RENDELL, A; ROOS, B. O et al.Journal of physical chemistry (1952). 1990, Vol 94, Num 14, pp 5477-5482, issn 0022-3654Conference Paper

A SELF-CONSISTENT FIELD THEORY OF CRYSTALS.WADATI M; MATSUMOTO H; TAKAHASHI Y et al.1977; PHYS. LETTERS, A; NETHERL.; DA. 1977; VOL. 62; NO 4; PP. 255-257; BIBL. 3 REF.Article

BOND ALTERNATION, ON-SITE COULOMB CORRELATIONS, AND SOLITONS IN POLYACETYLENESUBBASWAMY KR; GRABOWSKI M.1981; PHYS. REV. B; ISSN 0163-1829; USA; DA. 1981; VOL. 24; NO 4; PP. 2168-2173; BIBL. 25 REF.Article

MS-XALPHA STUDY OF THE KCL: CU- SPECTRUMREYES LM; RIBEIRO GM; FRANCO BJO et al.1981; SOLID STATE COMMUN.; ISSN 0038-1098; USA; DA. 1981; VOL. 40; NO 12; PP. 1031-1034; BIBL. 12 REF.Article

RELEVANCE OF NON-LINEAR SCREENING IN COVALENT SEMICONDUCTORSBAUR J; MASCHKE K; BALDERESCHI A et al.1981; SOLID STATE COMMUN.; ISSN 0038-1098; USA; DA. 1981; VOL. 39; NO 12; PP. 1297-1300; BIBL. 7 REF.Article

DESCRIBING AND REMOVING THE ARBITRARINESS IN THE CONSTRUCTION OF GENERAL SCF COUPLING OPERATORSMORIKAWA T.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 3; PP. 1303-1305; BIBL. 17 REF.Article

CALCUL DES ETATS EXCITES PAR LA METHODE SCF DANS LES CONDITIONS DE CONTRAINTE D'ORTHOGONALITESAMSONOV BF; CHEGLOKOV EI.1980; TEOR. EKSP. HIM.; ISSN 0497-2627; UKR; DA. 1980; VOL. 16; NO 6; PP. 732-736; BIBL. 21 REF.Article

SINGLE FOCK OPERATOR METHOD IN GENERAL SCF THEORYISHIKAWA Y; MALLI GL.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 76; NO 3; PP. 565-567; BIBL. 16 REF.Article

THEORY OF RHODOPSIN CHROMOPHORE AND ITS DESMETHYL ANALOGUES. IKITAJIMA H; ISHIKAWA K; SUZUKI H et al.1980; J. PHYS. SOC. JPN.; ISSN 0031-9015; JPN; DA. 1980; VOL. 48; NO 6; PP. 2055-2061; BIBL. 13 REF.Article

GENERAL THEORY OF DISLOCATION.WADATI M; MATSUMOTO H; TAKAHASHI Y et al.1977; PHYS. LETTERS, A; NETHERL.; DA. 1977; VOL. 62; NO 4; PP. 258-260; BIBL. 4 REF.Article

SCF study of mode selectivity in the unimolecular dissociation of formaldehydeSCHATZBERGER, R; HALEVI, E. A; MOISEYEV, N et al.Journal of physical chemistry (1952). 1985, Vol 89, Num 22, pp 4691-4695, issn 0022-3654Article

Influence of dispersed particles on the kinetic and elastic properties of heterogeneous materialsGEL'D, P. V; LYUBIMTSEVA, E. M; MITYUSHOV, E. A et al.Inorganic materials. 1995, Vol 31, Num 8, pp 1020-1023, issn 0020-1685Article

Gaussian basis sets for transition metals of the second seriesVEILLARD, A; DEDIEU, A.Theoretica chimica acta. 1984, Vol 65, Num 3, pp 215-218, issn 0040-5744Article

An iterative transfer perturbation method and its application to the interaction between a polymer and a small moleculeIMAMURA, A; AOKI, Y.Chemical physics letters. 1986, Vol 130, Num 5, pp 390-394, issn 0009-2614Article

Electronic structures of polyacenacene and polyphenanthrophenanthrene. Design of one-dimensional graphiteTANAKA, K; KOIKE, T; UEDA, K et al.Synthetic metals. 1985, Vol 11, Num 2, pp 61-73, issn 0379-6779Article

COMMENTS ON DE BRUIJN'S CRITICISMS ON THE PAPER ENTITLED AND IMPROVED LCAO SCF METHOD FOR THREE-DIMENSIONAL SOLIDSPERKINS PG; MARWAHA AK; STEWART JJP et al.1982; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1982; VOL. 61; NO 4; PP. 401-402; BIBL. 1 REF.Article

GROUND-STATE DIPOLE POLARIZABILITY OF LITHIUM HYBRIDE. ACCURATE SCF AND CAS SCF CALCULATIONSKARLSTROM G; ROOS BO; SADLEJ AJ et al.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 86; NO 4; PP. 374-379; BIBL. 33 REF.Article

ELECTRONIC ORIGIN OF THE SURFACE RECONSTRUCTION AND RELAXATION OF THE (001) SURFACE OF MO AND WTERAKURA I; TERAKURA K; HAMADA N et al.1981; SURF. SCI.; ISSN 0039-6028; NLD; DA. 1981; VOL. 111; NO 3; PP. 479-491; BIBL. 35 REF.Article

ON "THEORY AND METHOD FOR ACCELERATING THE CONVERGENCE OF SELF-CONSISTENT ELECTRONIC STRUCTURE CALCULATIONS"COLE LA.1981; J. COMPUT. PHYS.; ISSN 0021-9991; USA; DA. 1981; VOL. 41; NO 1; PP. 200-202; BIBL. 4 REF.Article

SCF NON-ADDITIVITY OF THE INTERACTION ENERGY IN THE NEON TRIMERBULSKI M.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 78; NO 2; PP. 361-365; BIBL. 16 REF.Article

STRUCTURE ELECTRONIQUE DES HYDRURES DE NICKEL ET DE PALLADIUM NON STOECHIOMETRIQUESSHPOTIN IS; ZHIDOMIROV GM; MALYUCHKOV OT et al.1981; FIZ. MET. METALLOVED.; ISSN 0015-3230; SUN; DA. 1981; VOL. 51; NO 3; PP. 473-479; BIBL. 22 REF.Article

RELATIVISTIC SELF-CONSISTENT FIELD (RSCF) THEORY FOR OPEN-SHELL MOLECULESMALLI G.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 73; NO 3; PP. 510-513; BIBL. 17 REF.Article

ZU EINIGEN NUMERISCHEN PROBLEMEN BEI QUANTENCHEMISCHEN RECHNUNGEN = QUELQUES PROBLEMES NUMERIQUES DANS LES CALCULS DE CHIMIE QUANTIQUEZWANZIGER H; REINHOLD J.1979; WISSENSCH. Z. KARL-MARX-UNIV. LEIPZIG, MATH.-NATURWISSENSCH. REIHE; DDR; DA. 1979; VOL. 28; NO 6; PP. 655-659; BIBL. 5 REF.Article

DEUTERON QUADRUPOLE COUPLING IN MOLECULES.SNYDER LC.1978; J. CHEM. PHYS.; U.S.A.; DA. 1978; VOL. 68; NO 1; PP. 291-294; BIBL. 40 REF.Article

ON CONVERGENCE IN MANY-SHELL SCF THEORY.FIRSHT D; PICKUP BT.1977; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1977; VOL. 12; NO 4; PP. 765-776; ABS. FR. ALLEM.; BIBL. 20 REF.Article

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