Half-numerical evaluation of pseudopotential integrals

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Roberto Flores-Moreno1, Rodrigo J Alvarez-Mendez, Alberto Vela

  • 1Departamento de Química, CINVESTAV, Avenida Instituto Politécnico Nacional 2508, A.P. 14-740 Mexico D.F. 07000, Mexico. rflores@cinvestar.mx

Journal of Computational Chemistry
|April 22, 2006
PubMed

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