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Assessment of a numeric variational method for the solution of confined multielectron atoms

Guilherme de Souza Tavares de Morais1, Rogério Custodio2

  • 1Instituto de Química, Universidade Estadual de Campinas, Barão Geraldo, 13083-970 Campinas, São Paulo, Brasil.

Journal of Molecular Modeling
|June 30, 2021
PubMed

Keywords:
Confined multielectron atomsGrid-based variational methodNumerical Hartree-FockSchrödinger equationq-Exponential discretization

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