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quant-phJul 11, 2020
9
citations (OpenAlex)
authors
  • Justin T. Fermann
  • Edward F. Valeev
arXiv abstractPDF
paper

Fundamentals of Molecular Integrals Evaluation

arXiv:2007.12057

Abstract

Evaluation of basic integrals over Gaussian functions, traditionally utilized for electronic structure computations on molecules and solids, is discussed in a pedagogical form.

Cited by in corpus (1)

  • Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions
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