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Theoretical model of the Au-Fe complex in siliconASSALI, L. V. C; LEITE, J. R; FAZZIO, A et al.Physical review. B, Condensed matter. 1985, Vol 32, Num 12, pp 8085-8091, issn 0163-1829Article

Linear coupled-cluster method. I: Echange-correlation effects in atomsSHANKAR, S; NARASIMHAN, P. T.Physical review. A, General physics. 1984, Vol 29, Num 1, pp 52-57, issn 0556-2791Article

Calcul d'amas de la structure électronique de l'impureté bore dans le siliciumBUNIN, M. A; MATVEEV, YU. A; PETROV, N. A et al.Fizika i tehnika poluprovodnikov. 1983, Vol 17, Num 11, pp 2025-2030, issn 0015-3222Article

The adsorption and dissociation of ammonia on small Si clusters surfaceQIU, M; CAO, P.-L; QUE, D.-L et al.Surface science. 1998, Vol 395, Num 2-3, pp 260-267, issn 0039-6028Article

Si core level XANES of organometallic compounds containing Si-Ge bonds : Experimental and theoretical observationsXIONG, J. Z; SHAM, T. K.Journal de physique. IV. 1997, Vol 7, Num 2, pp C2.493-C2.494, issn 1155-4339, 1Conference Paper

Oxygen vacancy in perovskite oxides : electron structure calculation by the SCF XαSW techniqueBUNIN, M. A; PROSANDEYEN, S. A; GEGUSIN, I. I et al.Radiation effects and defects in solids. 1995, Vol 134, Num 1-4, pp 75-77, issn 1042-0150Conference Paper

Impurity levels induced by a C impurity in GaAsSCOLFARO, L. M. R; PINTANEL, R; GOMES, V. M. S et al.Physical review. B, Condensed matter. 1986, Vol 34, Num 10, pp 7135-7139, issn 0163-1829Article

Linear coupled-cluster method. II: Analysis of local exchange-correlation potentials in beryllium and its isoelectronic seriesSHANKAR, S; NARASIMHAN, P. T.Physical review. A, General physics. 1984, Vol 29, Num 1, pp 58-63, issn 0556-2791Article

Vergleich der Elektronendichteverteilungen des Hydrido-interstitialkomplexes HNb₆H₁₁ und des Interstitialhydrids HNb: ein Beitrag zur Cluster-bulk-Analogie = Comparaison des distributions de densité électronique dans le complexe interstitiel hydruro HNb₆I₁₁ et l'hydrure interstitiel HNb. Contribution à l'analogie agrégat-composé massif = Comparison of electron density distributions in the hydrido-interstitial complex HbNb₆I₁₁ and in the interstitial hydride HNb: a contribution to cluster-bulb analogyFRITSCHE, H.-G; DÜBLER, F; MÜLLER, H et al.Zeitschrift für anorganische und allgemeine Chemie (1950). 1984, Vol 513, pp 46-56, issn 0044-2313Article

Linear dependence of Xα eigenvalues on occupation number: application to the determination of the ligand field integralsMAKHYOUN, M. A; LE BEUZE, A; LISSILLOUR, R et al.Theoretica chimica acta. 1983, Vol 63, Num 5, pp 383-393, issn 0040-5744Article

Semirelativistic SCF-SW-Xα calculations of uranium compounds. Electronic structure and chemical bondHEERA, V; SEIFERT, G; ZIESCHE, P et al.Physica status solidi. B. Basic research. 1983, Vol 118, Num 2, pp K107-K112, issn 0370-1972Article

Density functionnal theory. International workshop on electronic density functionals, held in Mexico CityKELLER, J; GAZQUEZ, J. L.Lecture notes in physics. 1983, Num 187, issn 0075-8450, 304 p.Conference Proceedings

The inner-shell hole of alkali metals studied by the DV-Xα methodIKEDA, T; OHMURA, Y; NAKAMATSU, H et al.Journal of the Physical Society of Japan. 1995, Vol 64, Num 7, pp 2669-2676, issn 0031-9015Article

Molecular orbital calculation of Al and MgKα chemical shiftsFUKUSHIMA, S; IIDA, A; GOHSHI, Y et al.Spectrochimica acta. Part B : Atomic spectroscopy. 1984, Vol 39, Num 1, pp 77-83, issn 0584-8547Article

Theory of off-center impurities in silicon: substitutional nitrogen and oxygenDELEO, G. G; FOWLER, W. B; WATKINS, G. D et al.Physical review. B, Condensed matter. 1984, Vol 29, Num 6, pp 3193-3207, issn 0163-1829Article

Eingenvalue search by diagonalization in the scattered wave methodCHERMETTE, H; SALAHUB, D. R.International journal of quantum chemistry. 1989, Vol 35, Num 4, pp 577-580, issn 0020-7608, 4 p.Article

LCAO Xα calculations of nuclear magnetic shielding in moleculesBIEGER, W; SEIFERT, G; ESCHRIG, H et al.Chemical physics letters. 1985, Vol 115, Num 3, pp 275-280, issn 0009-2614Article

Dipole polarisabilities of atoms: an X_α density matrix studyGOLLISCH, H.Journal of physics. B. Atomic and molecular physics. 1984, Vol 17, Num 8, pp 1463-1475, issn 0022-3700Article

Hartree-Fock exchange energy of an inhomogeneous electron gasBECKE, A. D.International journal of quantum chemistry. 1983, Vol 23, Num 6, pp 1915-1922, issn 0020-7608Article

Application de la méthode SCF Xα SW à l'analyse de la structure électronique des catalyseurs des processus d'hydrogénation et d'hydrogénation sélective des composés insaturés. II: Simulation de la structure électronique du catalyseur alumine-palladiumGAGARIN, S. G; GUBSKIJ, A. L; KOVTUN, A. P et al.Kinetika i kataliz. 1983, Vol 24, Num 4, pp 819-826, issn 0453-8811Article

AN APPLICATION OF THE EXCHANGE-CORRELATION MASS OPERATOR APPROXIMATION TO THE STUDY OF S-DOUBLET STRUCTURE OF SOME 3D-TRANSITION METAL IONSPAVAO AC; LEITE JR.1980; J. PHYS. CHEM. SOLIDS; ISSN 0022-3697; USA; DA. 1980; VOL. 41; NO 9; PP. 953-958; BIBL. 32 REF.Article

PRISE EN COMPTE DE LA VARIATION DU POTENTIEL ENTRE SPHERES ATOMIQUES DANS LA METHODE DES ONDES DIFFUSEESBLOK VP.1977; ZH. STRUKT KHIM.; S.S.S.R.; DA. 1977; VOL. 18; NO 4; PP. 767-769; BIBL. 6 REF.Article

APPLICATION DU DOMAINE DE CONFIGURATION SPHEROIDALE DANS LA METHODE DES ONDES DIFFUSEESONOPKO DE.1977; TEOR. EKSPER. KHIM., U.S.S.R.; S.S.S.R.; DA. 1977; VOL. 13; NO 1; PP. 47-54; BIBL. 6 REF.Article

ESTIMATION DE LA NON-UNIFORMITE DU POTENTIEL ENTRE LES SPHERES ATOMIQUES DANS LA METHODE DES ONDES DIFFUSEESBLOK VR.1977; ZH. FIZ. KHIM.; S.S.S.R.; DA. 1977; VOL. 51; NO 1; PP. 224-226; BIBL. 7 REF.Article