Universal basis sets for low-lying excited states of some positive and negative ions.
The generator coordinate Hartree-Fock method is used to generate universal basis sets (UBSs) of Gaussian- and Slater-type functions for low-lying excited states of some mono-positive and -negative ions. From our basis sets the total energies are calculated and compared with the corresponding results obtained with other UBSs and with fully-optimized basis sets of STFs.
Jorge
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Departamento de Física-CCE, Universidade Federal do Espírito Santo, Vitória, ES, Brazil. jorge@cce.ufes.br
Barros
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