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Universal LCAO parameters for III-V compound semiconductorsYUAN LI; LIN-CHUNG, P. J.The Journal of physics and chemistry of solids. 1985, Vol 46, Num 2, pp 241-247, issn 0022-3697Article

NATURE DE LA LUMINESCENCE DES IONS D'URANIUM HEXAVALENT DANS DIVERSES BASES CRISTALLINESONOPKO DE; PASHNINA EP; STAROSTIN NV et al.1977; OPT. I SPEKTROSK.; S.S.S.R.; DA. 1977; VOL. 43; NO 5; PP. 901-905; BIBL. 17 REF.Article

Band structure analysis of (1 × 2)-H/Pd(110)-prSHUTTLEWORTH, I. G.Surface science. 2013, Vol 615, pp 119-124, issn 0039-6028, 6 p.Article

Orthogonalized linear combinations of atomic orbitals. III: Extension to f-electron systems = Combinaisons linéaires orthogonalisées d'orbitales atomiques. III: Extension aux systèmes à électrons fLI, Y. P; ZONG-QUAN GU; CHING, W. Y et al.Physical review. B, Condensed matter. 1985, Vol 32, Num 12, pp 8377-8380, issn 0163-1829Article

Convergence of direct space exchange lattice sums in polymer band structure calculationsDELHALLE, J; CALAIS, J.-L.The Journal of chemical physics. 1986, Vol 85, Num 9, pp 5286-5298, issn 0021-9606Article

A minimal basis semi-ab initio approach to the band structures of semiconductorsMING-ZHU HUANG; CHING, W. Y.The Journal of physics and chemistry of solids. 1985, Vol 46, Num 8, pp 977-995, issn 0022-3697Article

First-principles linear combination of atomic orbitals method for the cohesive and structural properties of solids: application to diamondCHELIKOWSKY, J. R; LOUIE, S. G.Physical review. B, Condensed matter. 1984, Vol 29, Num 6, pp 3470-3481, issn 0163-1829Article

Schottky barrier formation : Al deposition on GaAs(110)ORTEGA, J; RINCON, R; PEREZ, R et al.Applied surface science. 1992, Vol 60-61, pp 736-741, issn 0169-4332Conference Paper

MAXIMUM DIFFERENCES OF ELECTRON DENSITY OF STATES OF FINITE AND INFINITE CRYSTALS.SKALA L.1977; CZECHOSL. J. PHYS.; CZECHOSL.; DA. 1977; VOL. 27; NO 2; PP. 171-181; BIBL. 13 REF.Article

SYMETRISATION D'UNE BASE LCAO DANS LE MODELE DE LA MAILLE QUASI-MOLECULAIRE ELARGIELOVCHIKOV VA; EHVARESTOV RA.1978; VEST. LENINGRAD. UNIV.; SUN; DA. 1978; NO 16; PP. 14-17; ABS. ENG; BIBL. 6 REF.Article

READILY COMPUTABLE EXPRESSIONS FOR LCAO TWO-CENTRE INTEGRALS OVER SLATER-TYPE ORBITALS WITH ARBITRARILY HIGH QUANTUM NUMBERSESCHRIG H.1979; PHYS. STATUS SOLIDI (B), BASIC RES.; ISSN 0370-1972; DDR; DA. 1979; VOL. 96; NO 1; PP. 329-342; ABS. GER; BIBL. 8 REF.Article

ELECTRONIC STRUCTURE OF INTERMETALLIC COMPOUNDS BY INTERPOLATION SCHEMESRENNERT P; GLASER UH; HERGERT W et al.1982; PHYSICA STATUS SOLIDI. (B). BASIC RESEARCH; ISSN 0370-1972; DDR; DA. 1982; VOL. 114; NO 2; PP. 449-458; ABS. GER; BIBL. 19 REF.Article

ELEMENTARY PREDICTION OF LINEAR COMBINATION OF ATOMIC ORBITALS MATRIX ELEMENTSFROYEN S; HARRISON WA.1979; PHYS. REV., B; USA; DA. 1979; VOL. 20; NO 6; PP. 2420-2422; BIBL. 6 REF.Article

Mulliken Population Analysis of X-ray Magnetic Circular Dichroism in Uranium Monochalcogenides: Examination of Sum Rules by Fully Relativistic Full-Potential LCAO MethodSUZUKI, Shugo; ARIIZUMI, Toshihiro; LI, Ming-Fang et al.Journal of the Physical Society of Japan. 2009, Vol 78, Num 7, issn 0031-9015, 074715.1-074715.10Article

A study of electronic structure of CdSe by Compton scattering techniqueDHAKA, M. S; SHARMA, G; MISHRA, M. C et al.Physica. B, Condensed matter. 2010, Vol 405, Num 17, pp 3537-3542, issn 0921-4526, 6 p.Article

Relaxation of electron charge distributions and force constants in polyatomic moleculesGRIBOV, L. A; MASLOV, I. V; NIUKKANEN, A. W et al.Journal of molecular structure. Theochem. 1994, Vol 304, Num 1, pp 85-92, issn 0166-1280Article

An algebraic method for solving Hartree-Fock-Roothaan equationsMALBOUISSON, L. A. C; VIANNA, J. D. M.Journal de chimie physique. 1990, Vol 87, Num 11-12, pp 2017-2025, issn 0021-7689Article

Self-consistent Hartree energy bands of MnOBAKHSHAI, A; HOLADAY, I. M; EKNAYAN, G. D et al.Physical review. B, Condensed matter. 1984, Vol 29, Num 12, pp 6932-6939, issn 0163-1829Article

LCAO-Gáspár-Kohn-Sham energy bands of trans-polyacetylene-chainVON BOEHM, J; KUIVALAINEN, P; CALAIS, J.-L et al.Solid state communications. 1983, Vol 48, Num 12, pp 1085-1087, issn 0038-1098Article

Electronic structure of AlxSi1-x = Structure électronique de AlxSi1-xLU FEN; YIN QI; ZHANG KAIMING et al.Chinese physics. 1988, Vol 8, Num 4, pp 1127-1130, issn 0273-429XArticle

Efficient solution of Poisson's equation in linear combination of atomic orbitals calculations of crystal electronic structureFEIBELMAN, P. J.Physical review. B, Condensed matter. 1986, Vol 33, Num 2, pp 719-725, issn 0163-1829Article

Mixed basis method with overlapping atomic orbitalsRESER, B. I.Physica status solidi. B. Basic research. 1985, Vol 127, Num 1, pp 267-272, issn 0370-1972Article

Scattered impurity states in transition metals. II: Approximate solutions using phase shifts = Etats d'impuretés diffusées dans les métaux de transition. II: Solutions approximatives en utilisant les déplacements de phasesHOLAS, A; OLSZEWSKI, S; WIERZBICKI, A et al.Physical review. B, Condensed matter. 1985, Vol 32, Num 12, pp 7913-7924, issn 0163-1829Article

Fast construction of the Kohn-Sham response function for moleculesKOVAL, Peter; FOERSTER, Dietrich; COULAUD, Olivier et al.Physica status solidi. B. Basic research. 2010, Vol 247, Num 8, pp 1841-1848, issn 0370-1972, 8 p.Conference Paper

A scalar relativistic full-potential LCAO methodSUZUKI, S; NAKAO, K.Journal of the Physical Society of Japan. 2000, Vol 69, Num 2, pp 532-542, issn 0031-9015Article

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