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Ушбу иш иқтибос қилган ишлар

52 та иш

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

  1. Сарлавҳасиз

    Бошқа1117 иқтибос
    ABI

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

    Z. M. Khakimov

    МақолаAdvanced Chemical Physics StudiesComputational Materials Science19948 иқтибос
    ABI

  3. Computer Simulation of Liquids

    S. P, K. J

    Мақола19887 иқтибос
    ABI

  4. Atomic energy levels

    J. Bearden, A. F. Burr

    Китоб19656 иқтибос
    ABI

  5. Simplified LCAO Method for the Periodic Potential Problem

    J. C. Slater, G. F. Koster

    Мақола19546 иқтибос
    ABI

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

    Krishnan Raghavachari, Celeste McMichael Rohlfing

    Мақола19885 иқтибос
    ABI

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

    D. J. Chadi

    Мақола19795 иқтибос
    ABI

  8. Transferable tight-binding models for silicon

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

    Мақола19944 иқтибос
    ABI

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

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

    Мақола19894 иқтибос
    ABI

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

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

    Мақола19673 иқтибос
    ABI

  11. New integrator for molecular dynamics simulations

    Z. M. Khakimov

    МақолаQuantum, superfluid, helium dynamicsComputer Physics Communications20023 иқтибос
    ABI

  12. Atomic Screening Constants from SCF Functions

    E. Clementi, D. L. Raimondi

    Мақола19633 иқтибос
    ABI

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

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

    Мақола19983 иқтибос
    ABI

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

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

    Мақола19923 иқтибос
    ABI

  15. Structures of medium-sized silicon clusters

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

    Мақола19982 иқтибос
    ABI

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

    Krishnan Raghavachari

    Мақола19922 иқтибос
    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

    Мақола20002 иқтибос
    ABI

  18. Electronic structure and the properties of solids

    Walter A. Harrison

    Китоб19802 иқтибос
    ABI

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

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

    МақолаSilicon Nanostructures and PhotoluminescenceInternational Journal of Quantum Chemistry20032 иқтибос
    ABI

  20. Bond-order potentials: Theory and implementation

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

    Мақола19962 иқтибос
    ABI

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

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

    Мақола20012 иқтибос
    ABI

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

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

    Мақола19982 иқтибос
    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

    Мақола19952 иқтибос
    ABI

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

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

    Мақола20002 иқтибос
    ABI

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

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

    Мақола19972 иқтибос
    ABI