Found 227 results
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“Strong Interplay between Structure and Electronic Properties in CuIn(S,Se)2: A First-Principles Study”, Phys. Rev. Lett., vol. 104. p. 056401, 2010.
, “Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation”, The Journal of Chemical Physics, vol. 131. AIP, p. 084102, 2009.
, “Alloying effects on the optical properties of Ge1−xSix nanocrystals from time-dependent density functional theory and comparison with effective-medium theory”, Phys. Rev. B, vol. 79, 155440. 2009.
, “The challenge of predicting optical properties of biomolecules: what can we learn from time-dependent density-functional theory?”, Comptes Rendus de Physique, vol. 10. pp. 469-490, 2009.
, “Double excitations in finite systems”, Journal of Chemical Physics, vol. 130. p. 044108, 2009.
, “Electronic properties and dielectric response of surfaces and nanowires of silicon from ab-initio approaches”, Superlattices and Microstructures, vol. 46. pp. 234 - 239, 2009.
, “Interpolation between spectra satisfying sum rules”, Physical Review B, vol. 79. APS, p. 094102, 2009.
, “Local atomic order and optical properties in amorphous and laser-crystallized GeTe”, C.R. Physique, vol. 10. pp. 514-527, 2009.
, “Master equations for quantum transport with Franck-Condon blockade”, Phys. Rev. B, vol. 80. American Physical Society, p. 155437, 2009.
, “Optical and magnetic properties of boron fullerenes”, Phys. Chem. Chem. Phys, vol. 11, Page 4523. 2009.
, “The self-energy beyond GW: Local and nonlocal vertex corrections”, The Journal of Chemical Physics, vol. 131. AIP, p. 154111, 2009.
, “Theoretical spectroscopy”, Comptes rendus physique, vol. Tome 10 N°6. 2009.
, “Valence-band electronic structure of V[sub 2]O[sub 3]: Identification of V and O bands”, Physical Review B (Condensed Matter and Materials Physics), vol. 80. APS, p. 155115, 2009.
, “Ab Initio GW Many-Body Effects in Graphene”, Physical Review Letters, vol. 101. APS, p. 226405, 2008.
, “Ab initio study of bilateral doping within the $MoS_{2}-NbS_{2}$ system”, Phys. Rev. B, vol. 78. American Physical Society, p. 134104, 2008.
, “Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects”, Phys. Rev. B, vol. 78. American Physical Society, p. 235428, 2008.
, “Accuracy of the pseudopotential approximation in ab initio theoretical spectroscopies”, Physical Review B, vol. 78. p. 245124, 2008.
, “Anomalous Angular Dependence of the Dynamic Structure Factor near Bragg Reflections: Graphite”, Physical Review Letters, vol. 101. APS, p. 266406, 2008.
, “Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces”, PHYSICAL REVIEW B, vol. 78, 035333. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, 2008.
, “First-principles study of silicon nanocrystals: Structural and electronic properties, absorption, emission, and doping”, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, vol. 8. pp. 479-492, 2008.
, “Linear plasmon dispersion in single-wall carbon nanotubes and the collective excitation spectrum of graphene”, Phys. Rev. Lett., vol. 100. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 196803, 2008.
, “Reversible switching in phase-change materials”, MATERIALS TODAY, vol. 11. ELSEVIER SCI LTD, THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND, pp. 20-27, 2008.
, “Sharing electronic structure and crystallographic data with ETSF_IO”, COMPUTER PHYSICS COMMUNICATIONS, vol. 179. ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS, pp. 748-758, 2008.
, “Specification of an extensible and portable file format for electronic structure and crystallographic data”, Computational Materials Science, vol. 43. 2008.
, “Structure of the liquid and the crystal of the phase-change material $SnSe_{2}$ : First-principles molecular dynamics”, Phys. Rev. B, vol. 78. American Physical Society, p. 224209, 2008.
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