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Distributed Gaussian orbitals for the description of electrons in an external potential

Léa Brooke1, Alejandro Diaz-Marquez1, Stefano Evangelisti1

  • 1Laboratoire de Chimie et Physique Quantiques, IRSAMC, CNRS, Université de Toulouse, Toulouse, UPS, France.

Journal of Molecular Modeling
|July 28, 2018
PubMed

Keywords:
Basis setDistributed GaussiansQuantum chemistry

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