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A grid-based variational method to the solution of the Schrödinger equation : the q-exponential and the near Hartree-Fock results for the ground state atomic energies

A grid-based variational method to the solution of the Schrödinger equation : the q-exponential and the near Hartree-Fock results for the ground state atomic energies

Rogério Custodio, Guilherme de Souza Tavares de Morais, Maurício Gustavo Rodrigues

ARTIGO

Inglês

Agradecimentos: The authors would like to thank the reviewers of this papers for suggestions, comments, and criticism. Financial support is also acknowledged: from FAPESP (Fundação de Amparo à Pesquisa do Estado de São Paulo - Center for Computational Engineering and Sciences, Grant 2013/08293-7 and... Ver mais
A grid-based variational method was proposed and applied to the ground state energies of atoms from the first to the third period of the periodic table. The nonuniform grid in the radial coordinate was defined by a q-exponential sequence. Some unusual properties between the optimum q-parameters and... Ver mais

FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESP

2013/08293-7; 2017/11485-6

CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQ

Fechado

A grid-based variational method to the solution of the Schrödinger equation : the q-exponential and the near Hartree-Fock results for the ground state atomic energies

Rogério Custodio, Guilherme de Souza Tavares de Morais, Maurício Gustavo Rodrigues

										

A grid-based variational method to the solution of the Schrödinger equation : the q-exponential and the near Hartree-Fock results for the ground state atomic energies

Rogério Custodio, Guilherme de Souza Tavares de Morais, Maurício Gustavo Rodrigues

    Fontes

    Journal of molecular modeling (Fonte avulsa)