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cgsanchezs library [119 articles]

Nye artikler sendt til cgsanchezs bibliotek.
  • Spin unrestricted linear scaling electronic structure theory and its application to magnetic carbon doped BN nanotubes
    (23 Jul 2005)
    by HJ Xiang, WZ Liang, Jinlong Yang, JG Hou, Qingshi Zhu
    posted to no-tag by cgsanchez on 2008-09-29 02:32:55 as **
  • Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory
    The Journal of Chemical Physics, Vol. 127, No. 5. (2007)
    by Jörg Kussmann, Christian Ochsenfeld
    posted to no-tag by cgsanchez on 2008-09-29 01:50:19 as **
  • A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels
    The Journal of Chemical Physics, Vol. 127, No. 20. (2007)
    by Jörg Kussmann, Christian Ochsenfeld
    posted to no-tag by cgsanchez on 2008-09-29 00:52:02 as **
  • Matrix Computations (Johns Hopkins Studies in Mathematical Sciences)
    (15 October 1996)
    by Gene H Golub, Charles F Van Loan
  • Dynamics of the dissipative two-state system
    Reviews of Modern Physics, Vol. 59, No. 1. (January 1987), 1.
    by AJ Leggett, S Chakravarty, AT Dorsey, Matthew P Fisher, Anupam Garg, W Zwerger
    posted to spin-boson by cgsanchez on 2008-07-16 01:08:42 as ** along with 2 people beloviedo tornadointexas
  • Molecular conduction: Do time-dependent simulations tell you more than the Landauer approach?
    The Journal of Chemical Physics, Vol. 124, No. 21. (7 June 2006), pp. 214708-7.
    by Cristian G Sanchez, Maria Stamenova, Stefano Sanvito, DR Bowler, Andrew P Horsfield, Tchavdar N Todorov
  • notes Successes and failures of time-dependent density functional theory for the low-lying excited states of chlorophylls
    Molecular Physics, Vol. 103, No. 6-8. (2005), pp. 1057-1065.
    by MG Dahlbom, JR Reimers
    posted to file-import-08-07-15 by cgsanchez on 2008-07-15 22:13:10 as **
  • Turbo charging time-dependent density-functional theory with Lanczos chains
    The Journal of Chemical Physics, Vol. 128, No. 15. (2008)
    by Dario Rocca, Ralph Gebauer, Yousef Saad, Stefano Baroni
    posted to linear-response tddft by cgsanchez on 2008-07-15 21:47:26 as **
  • Correlated electron-ion dynamics in metallic systems
    Computational Materials Science, Vol. In Press, Corrected Proof
    by AP Horsfield, M Finnis, M Foulkes, J Lepage, D Mason, C Race, AP Sutton, DR Bowler, AJ Fisher, R Miranda, L Stella, AM Stoneham, D Dundas, E Mceniry, TN Todorov, CG Sánchez
    posted to ceid by cgsanchez on 2008-07-15 21:38:22 as **
  • Quantum Mechanics Helps in Searching for a Needle in a Haystack
    Physical Review Letters, Vol. 79, No. 2. (14 July 1997), 325.
    by Lov K Grover
    posted to quantum-computing by cgsanchez on 2008-07-15 18:54:41 as ** along with 1 person martinthesis
  • Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems
    Nature, Vol. 446, No. 7137., pp. 782-786.
    by Gregory S Engel, Tessa R Calhoun, Elizabeth L Read, Tae-Kyu Ahn, Tomáš Mančal, Yuan-Chung Cheng, Robert E Blankenship, Graham R Fleming
  • Molecular to Global Photosynthesis (Series on Photoconversion of Solar Energy, Vol. 2)
    (31 May 2004)
    posted to photosynthesis by cgsanchez on 2008-07-15 18:51:05 as **
  • Coherence Dynamics in Photosynthesis: Protein Protection of Excitonic Coherence
    Science, Vol. 316, No. 5830. (8 June 2007), pp. 1462-1465.
    by Hohjai Lee, Yuan-Chung Cheng, Graham R Fleming
    posted to decoherence photosynthesis by cgsanchez on 2008-07-15 18:48:37 as **
  • Decoherence, the measurement problem, and interpretations of quantum mechanics
    Reviews of Modern Physics, Vol. 76, No. 4. (2004)
    by Maximilian Schlosshauer
    posted to decoherence by cgsanchez on 2008-07-15 18:44:20 as ** along with 1 person kevina
  • Decoherence and the Quantum-To-Classical Transition (The Frontiers Collection)
    (20 December 2007)
    by Maximilian A Schlosshauer
    posted to decoherence by cgsanchez on 2008-07-15 18:42:35 as ** along with 1 person NitinCR
  • Molecular Mechanisms of Photosynthesis
    (01 December 2001)
    by Robert E Blankenship
    posted to photosynthesis by cgsanchez on 2008-07-14 15:52:36 as ** along with 2 people beloviedo sjanusz
  • Density Functional Theory of Atoms and Molecules
    (1989)
    by Robert G Parr, Weitao Yang
    posted to plasmon by cgsanchez on 2008-07-14 15:48:00 as read
  • Interatomic forces in condesed matter
    (2004)
    by Mike W Finnis
    posted to plasmon by cgsanchez on 2008-07-14 15:48:00 as read
  • Validation of the DFTB method for the calculation of reaction energies and other data.
    J. Phys. Chem., Vol. 122 (2005)
    posted to dftb by cgsanchez on 2008-07-14 15:48:00 as read
  • Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties
    Phys. Rev. B, Vol. 58, No. 11. (Sep 1998), pp. 7260-7268.
    posted to dftb by cgsanchez on 2008-07-14 15:48:00 as read
  • Computational materials synthesis. I. A tight-binding scheme for hydrocarbons
    Phys. Rev. B, Vol. 54, No. 22. (Dec 1996), pp. 15773-15775.
    by AP Horsfield, PD Godwin, DG Pettifor, AP Sutton
    posted to plasmon by cgsanchez on 2008-07-14 15:48:00 as read
  • Time-dependent tight binding
    Journal of Physics: Condensed Matter, Vol. 13, No. 45. (2001), pp. 10125-10148.
    by TN Todorov
    posted to tdtb by cgsanchez on 2008-07-14 15:48:00 as read
  • A simple model of atomic interactions in noble metals based explicitly on electronic structure
    Phyl. Mag. A, Vol. 81 (2001)
    by AP Sutton, TN Todorov, MJ Cackewell, J Hoekstra
    posted to stch by cgsanchez on 2008-07-14 15:48:00 as read
  • Electronic transport in mesoscopic systems
    (1997)
    by Supriyo Datta
    posted to plasmon by cgsanchez on 2008-07-14 15:48:00 as read
  • Quantum Kinetics in Transport and Optics of Semiconductors
    (1999)
    by Hartmut Haug, Antti P Jauho
    posted to plasmon by cgsanchez on 2008-07-14 15:48:00 as read
  • Tight-binding simulation of current-carrying nanostructures
    Journal of Physics: Condensed Matter, Vol. 14, No. 11. (2002), pp. 3049-3084.
    by Tchavdar N Todorov
    posted to plasmon by cgsanchez on 2008-07-14 15:48:00 as read
  • Current induced forces in atomic-scale conductors
    Phyl. Mag. B, Vol. 80 (2000)
    by TN Todorov, J Hoekstra, AP Sutton
    posted to plasmon by cgsanchez on 2008-07-14 15:48:00 as read
  • Electromagnetic fields and dielectric response in empirical tight-binding theory
    Phys. Rev. B, Vol. 51, No. 8. (Feb 1995), pp. 4940-4949.
    by M Graf, P Vogl
    posted to plasmon by cgsanchez on 2008-07-14 15:48:00 as read
  • Time-dependent local-density approximation in real time
    Phys. Rev. B, Vol. 54, No. 7. (Aug 1996), pp. 4484-4487.
    by K Yabana, GF Bertsch
    posted to plasmon by cgsanchez on 2008-07-14 15:48:00 as read
  • Excitation Energies from Time-Dependent Density-Functional Theory
    Phys. Rev. Lett., Vol. 76, No. 8. (Feb 1996), pp. 1212-1215.
    by M Petersilka, UJ Gossmann, EKU Gross
    posted to plasmon by cgsanchez on 2008-07-14 15:48:00 as read
  • octopus: a first-principles tool for excited electron-ion dynamics;
    Computer Physics Communications, Vol. 151, No. 1. (2003), pp. 60-78.
    by Miguel AL Marques, Alberto Castro, George F Bertsch, Angel Rubio
  • Beyond Ehrenfest: correlated non-adiabatic molecular dynamics
    Journal of Physics: Condensed Matter, Vol. 16, No. 46. (2004), pp. 8251-8266.
    by Andrew P Horsfield, DR Bowler, AJ Fisher, Tchavdar N Todorov, Cristián G Sánchez
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Correlated electron–ion dynamics with open boundaries: formalism
    Journal of Physics: Condensed Matter, Vol. 17, No. 25. (2005), pp. 3985-3995.
    by DR Bowler, Andrew P Horsfield, Cristián G Sánchez, Tchavdar N Todorov
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Correlated electron–ion dynamics: the excitation of atomic motion by energetic electrons
    Journal of Physics: Condensed Matter, Vol. 17, No. 30. (2005), pp. 4793-4812.
    by Andrew P Horsfield, DR Bowler, AJ Fisher, Tchavdar N Todorov, Cristián G Sánchez
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • The transfer of energy between electrons and ions in solids
    Reports on Progress in Physics, Vol. 69, No. 4. (2006), pp. 1195-1234.
    by AP Horsfield, DR Bowler, H Ness, CG Sánchez, TN Todorov, AJ Fisher
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Power dissipation in nanoscale conductors: classical, semi-classical and quantum dynamics
    Journal of Physics: Condensed Matter, Vol. 16, No. 21. (2004), pp. 3609-3622.
    by Andrew P Horsfield, DR Bowler, AJ Fisher, Tchavdar N Todorov, MJ Montgomery
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Correlated electron-ion dynamics
    Psi-k Newsletter, No. 68. (2005)
    by TN Todorov, CG Sánchez, DR Bowler, AP Horsfield
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Molecular conduction: Do time-dependent simulations tell you more than the Landauer approach?
    The Journal of Chemical Physics, Vol. 124, No. 21. (2006)
    by Cristian G Sanchez, Maria Stamenova, Stefano Sanvito, DR Bowler, Andrew P Horsfield, Tchavdar N Todorov
    posted to conductivity dynamics electrical electronics method molecular plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Field-induced transfer of an atom between two closely spaced electrodes
    Phys. Rev. B, Vol. 45, No. 23. (Jun 1992), pp. 13599-13606.
    by ND Lang
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Energy Landscapes: Applications to Clusters, Biomolecules and Glasses
    (2004)
    by David Wales
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Density-Functional Theory for Time-Dependent Systems
    Phys. Rev. Lett., Vol. 52, No. 12. (Mar 1984)
    by Erich Runge, EKU Gross
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method
    Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. V109, No. 5. (2003), pp. 251-267.
    by Hans D Meyer, Graham A Worth
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Decaimiento de la excitación plasmónica en nanoagregados metálicos
    (2006)
    by CFA Negre, Cristian G Sanchez
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Propiedades ópticas de nanoagregados metálicos a partir de simulaciones dinámicas
    (2006)
    by CFA Negre, CG Sánchez
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Conductance Switching in Single Molecules Through Conformational Changes
    Science, Vol. 292, No. 5525. (2001), pp. 2303-2307.
    by ZJ Donhauser, BA Mantooth, KF Kelly, LA Bumm, JD Monnell, JJ Stapleton, Jr, AM Rawlett, DL Allara, JM Tour, PS Weiss
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • STM CONTROL OF CHEMICAL REACTIONS: Single-Molecule Synthesis
    Annual Review of Physical Chemistry, Vol. 54, No. 1. (2003), pp. 307-330.
    by Saw W Hla, Karl H Rieder
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Optical properties of metal clusters
    (1995)
    by Uwe Kreibig, Michael Volmer
    posted to plasmon by cgsanchez on 2008-07-14 15:47:59 as read
  • Absorption and scattering of light by small particles
    (1983)
    by CF Bohren, DR Huffman
    posted to plasmon by cgsanchez on 2008-07-14 15:47:58 as read
  • Photochemistry on metal nanoparticles
    Chem. Rev., Vol. 106 (2006)
    by K Watanabe, D Menzel, N Nilius, HJ Freund
    posted to plasmon by cgsanchez on 2008-07-14 15:47:58 as read
  • Surface Plasmon Resonance Scattering and Absorption of anti-EGFR Antibody Conjugated Gold Nanoparticles in Cancer Diagnostics: Applications in Oral Cancer
    Nano Letters, Vol. 5, No. 5. (2005)
    by El IH Sayed, X Huang, El MA Sayed
    posted to plasmon by cgsanchez on 2008-07-14 15:47:58 as read
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