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Results 1 to 25 of 440098

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Optical band gap of Si nanoclustersDELERUE, C; ALLAN, G; LANNOO, M et al.Journal of luminescence. 1998, Vol 80, Num 1-4, pp 65-73, issn 0022-2313Conference Paper

Stress correction for slab asymmetry in supercell calculationsFEIBELMAN, Peter J.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 15, pp 153408.1-153408.2, issn 1098-0121Article

Exchange and correlation as a functional of the local density of statesSOLER, José M.Physical review B. Condensed matter and materials physics. 2004, Vol 69, Num 19, pp 195101.1-195101.5, issn 1098-0121Article

Band-gap energy in the random-phase approximation to density-functional theoryNIQUET, Y. M; GONZE, X.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 24, pp 245115.1-245115.12, issn 1098-0121Article

Experimental observation of an atomic hydrogen material with H-H bond distance of 150 pm suggesting metallic hydrogenBADIEI, Shahriar; HOLMLID, Leif.Journal of physics. Condensed matter (Print). 2004, Vol 16, Num 39, pp 7017-7023, issn 0953-8984, 7 p.Article

On the equivalence of different techniques for evaluating the Green function for a semi-infinite system using a localized basisVELEV, Julian; BUTLER, William.Journal of physics. Condensed matter (Print). 2004, Vol 16, Num 21, pp R637-R657, issn 0953-8984Article

kp-approach for non-symmetric short-range defects : Resonant states and alloy bandstructureVASKO, F. T.Physica status solidi. B. Basic research. 2004, Vol 241, Num 2, pp 329-338, issn 0370-1972, 10 p.Article

Computational method for the intrasite matrix elements of the Hamiltonian for tight-binding molecular dynamics calculationsHAYAMI, Wataru.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 23, pp 233102.1-233102.4, issn 1098-0121Article

Single-particle dynamics of the Anderson model: a local moment approachGLOSSOP, Matthew T; LOGAN, David E.Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 26, pp 6737-6760, issn 0953-8984Article

HARES: an efficient method for first-principles electronic structure calculations of complex systemsWAGHMARE, U. V; HANCHUL KIM; PARK, I. J et al.Computer physics communications. 2001, Vol 137, Num 3, pp 341-360, issn 0010-4655Article

The periodic Hartree-Fock method and its implementation in the CRYSTAL codeDOVESI, R; ORLANDO, R; ROETTI, C et al.Physica status solidi. B. Basic research. 2000, Vol 217, Num 1, pp 63-88, issn 0370-1972Article

Electronic structure and character of long-period superstructures in precious-metal alloysVELIKOKHATNVI, O. I; EREMEEV, S. V; NAUMOV, I. I et al.Computational materials science. 2000, Vol 19, Num 1-4, pp 275-284, issn 0927-0256Conference Paper

Cyclic clusters of hexagonal boron nitride monolayers: LCAO Hartree-Fock calculationsBREDOW, T; EVARESTOV, R. A.Physica status solidi. B. Basic research. 2000, Vol 220, Num 1, pp R5-R7, issn 0370-1972Article

A semiempirical simulation methodology : atomistic and ionic dissociation of silicaAI CHEN; CORRALES, L. R.Journal of non-crystalline solids. 1999, Vol 249, Num 2-3, pp 81-98, issn 0022-3093Article

Non-orthogonal tight-binding new method for alloys, including slater-friedel screening correctionsABRAMOVICI, G.Solid state communications. 1998, Vol 109, Num 4, pp 253-256, issn 0038-1098Article

Screening in the linear-muffin-tin-orbital and the Korringa-Kohn-Rostoker methods : analysis of a one-dimensional modelSCHWITALLA, J; GYÖRFFY, B. L.Philosophical magazine. B. Physics of condensed matter. Statistical mechanics, electronic, optical and magnetic properties. 1998, Vol 78, Num 5-6, pp 441-447, issn 1364-2812Conference Paper

Accurate, efficient, and simple forces computed with quantum Monte Carlo methodsCHIESA, Simone; CEPERLEY, D. M; ZHANG, Shiwei et al.Physical review letters. 2005, Vol 94, Num 3, pp 036404.1-036404.4, issn 0031-9007Article

GW+T theory of excited electron lifetimes in metalsZHUKOV, V. P; CHULKOV, E. V; ECHENIQUE, P. M et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 15, pp 155109.1-155109.14, issn 1098-0121Article

Cluster dynamical mean-field theories: Causality and classical limitBIROLI, G; PARCOLLET, O; KOTLIAR, G et al.Physical review B. Condensed matter and materials physics. 2004, Vol 69, Num 20, pp 205108.1-205108.20, issn 1098-0121Article

Short-range repulsive interatomic interactions in energetic processes in solidsPRUNEDA, J. M; ARTACHO, Emilio.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 3, pp 035106.1-035106.7, issn 1098-0121Article

Assisted hopping and interaction effects in impurity modelsBORDA, L; GUINEA, F.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 12, pp 125118.1-125118.5, issn 1098-0121Article

Electronic properties of a Cantor latticeSENGUPTA, Sheelan; CHAKRABARTI, Arunava; CHATTOPADHYAY, Samar et al.Physica. B, Condensed matter. 2004, Vol 344, Num 1-4, pp 307-318, issn 0921-4526, 12 p.Article

Diagrammatic perturbation theory and the pseudogapMONTHOUX, P.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 14, pp 144403.1-144403.16, issn 1098-0121Article

Classical Langevin dynamics for model HamiltoniansCOHEN, Morrel H.Physica status solidi. B. Basic research. 2003, Vol 237, Num 1, pp 252-259, issn 0370-1972, 8 p.Article

Flat bands of a tight-binding electronic system with hexagonal structureNISHINO, Shinya; GODA, Masaki; KUSAKABE, Koichi et al.Journal of the Physical Society of Japan. 2003, Vol 72, Num 8, pp 2015-2023, issn 0031-9015, 9 p.Article

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