Polyatom: A General Computer Program for Ab Initio Calculations

  • Jules W. Moskowitz
  • Lawrence C. Snyder
Part of the Modern Theoretical Chemistry book series (MTC, volume 3)


The Polyatom (1,2) system of computer programs was written to make quantitative wave mechanical descriptions of molecules. These programs employ a Gaussian basis set to compute determinantal electronic wave functions and corresponding derived properties. The computations are made in an ab initio style which includes all electrons and computes all integrals.


Molecular Orbital General Computer Program Bell Laboratory Symmetry Orbital Compton Profile 
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Copyright information

© Springer Science+Business Media New York 1977

Authors and Affiliations

  • Jules W. Moskowitz
    • 1
  • Lawrence C. Snyder
    • 2
  1. 1.Chemistry DepartmentNew York UniversityNew YorkUSA
  2. 2.Bell LaboratoriesMurray HillUSA

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