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52 ta ish

Ish: Nonconventional tight-binding method for the calculation of the total energy and spectroscopic energies of atomic clusters: Transferable parameters for silicon

  1. Sarlavhasiz

    Boshqa1117 iqtibos
    ABI

  2. A new semiempirical electronic structure and total energy calculation method for solids and large molecules

    Z. M. Khakimov

    MaqolaAdvanced Chemical Physics StudiesComputational Materials Science19948 iqtibos
    ABI

  3. Computer Simulation of Liquids

    S. P, K. J

    Maqola19887 iqtibos
    ABI

  4. Atomic energy levels

    J. Bearden, A. F. Burr

    Kitob19656 iqtibos
    ABI

  5. Simplified LCAO Method for the Periodic Potential Problem

    J. C. Slater, G. F. Koster

    Maqola19546 iqtibos
    ABI

  6. Bonding and stabilities of small silicon clusters: A theoretical study of Si7–Si1

    Krishnan Raghavachari, Celeste McMichael Rohlfing

    Maqola19885 iqtibos
    ABI

  7. (110) surface atomic structures of covalent and ionic semiconductors

    D. J. Chadi

    Maqola19795 iqtibos
    ABI

  8. Transferable tight-binding models for silicon

    I. Kwon, R. Biswas, C. Z. Wang +2

    Maqola19944 iqtibos
    ABI

  9. Generating Transferable Tight-Binding Parameters: Application to Silicon

    L. Goodwin, A Skinner, D. G. Pettifor

    Maqola19894 iqtibos
    ABI

  10. Atomic Screening Constants from SCF Functions. II. Atoms with 37 to 86 Electrons

    E. Clementi, D. L. Raimondi, William P. Reinhardt

    Maqola19673 iqtibos
    ABI

  11. New integrator for molecular dynamics simulations

    Z. M. Khakimov

    MaqolaQuantum, superfluid, helium dynamicsComputer Physics Communications20023 iqtibos
    ABI

  12. Atomic Screening Constants from SCF Functions

    E. Clementi, D. L. Raimondi

    Maqola19633 iqtibos
    ABI

  13. Ionization of medium-sized silicon clusters and the geometries of the cations

    Bei Liu, Zhong-Yi Lu, Bicai Pan +4

    Maqola19983 iqtibos
    ABI

  14. Binding energies and electron affinities of small silicon clusters (<i>n</i>=2–5)

    Larry A. Curtiss, Peter W. Deutsch, Krishnan Raghavachari

    Maqola19923 iqtibos
    ABI

  15. Structures of medium-sized silicon clusters

    Kai‐Ming Ho, Alexandre A. Shvartsburg, Bicai Pan +5

    Maqola19982 iqtibos
    ABI

  16. Sequential reactions of SiH+2 with silane: A theoretical study

    Krishnan Raghavachari

    Maqola19922 iqtibos
    ABI

  17. A Self-Consistent Charge Density-Functional Based Tight-Binding Method for Predictive Materials Simulations in Physics, Chemistry and Biology

    Thomas Frauenheim, Gotthard Seifert, M. Elsterner +5

    Maqola20002 iqtibos
    ABI

  18. Electronic structure and the properties of solids

    Walter A. Harrison

    Kitob19802 iqtibos
    ABI

  19. Tight‐binding molecular dynamics simulation of SiH bond dissociation in silicon clusters

    Z. M. Khakimov, F. T. Umarova, N. T. Sulaymonov +2

    MaqolaSilicon Nanostructures and PhotoluminescenceInternational Journal of Quantum Chemistry20032 iqtibos
    ABI

  20. Bond-order potentials: Theory and implementation

    A. P. Horsfield, A. M. Bratkovsky, M. Fearn +2

    Maqola19962 iqtibos
    ABI

  21. A comparison of orthogonal sp-based tight-binding models for silicon

    P. D. Godwin, Amanda Killen Roberts, Decai Yu +2

    Maqola20012 iqtibos
    ABI

  22. Vibrationally resolved photoelectron spectroscopy of silicon cluster anions Sin− (n=3–7)

    Cangshan Xu, Travis R. Taylor, Gordon R. Burton +1

    Maqola19982 iqtibos
    ABI

  23. Quantum Monte Carlo Determination of Electronic and Structural Properties of S<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">i</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="italic">n</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>Clusters (<i>n</i><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>≤</mml:mi></mml:math>20)

    Jeffrey C. Grossman, Luboš Mitáš

    Maqola19952 iqtibos
    ABI

  24. Spectroscopic Evidence for the Tricapped Trigonal Prism Structure of Semiconductor Clusters

    Jürgen Müller, Bei Liu, Alexandre A. Shvartsburg +5

    Maqola20002 iqtibos
    ABI

  25. Structure and vibrational spectra of low-energy silicon clusters

    A. Sieck, D. Porezag, Thomas Frauenheim +2

    Maqola19972 iqtibos
    ABI