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Tags: gamess

All Categories (1-4 of 4)

  1. Resources for Materials Science and Engineering

    Ab initio electronic structure simulation tools ABINIT :ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made...

    http://nanohub.org/wiki/MaterialScienceSimulationTools

  2. Large-scale first principles configuration interaction calculations of optical absorption in boron clusters

    07 Mar 2012 | Papers | Contributor(s): Ravindra L Shinde

    We have performed systematic large-scale all-electron correlated calculations on boron clusters Bn (n=2–5), to study their linear optical absorption spectra. Several possible isomers of each...

    http://nanohub.org/resources/13404

  3. GAMESS (General Atomic and Molecular Electronic Structure System)

    This page provides links to various nanoHUB resources related to GAMESS (General Atomic and Molecular Electronic Structure System). The QC-Lab tool (Quantum Chemistry Lab tool), powered by GAMESS,...

    http://nanohub.org/wiki/GAMESS

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