Accurate Gaussian Basis Sets for the Ground State of the CS Molecule
Sequences of increasing size atom centered basis sets of Gaussian-type functions for the ground state of theCS molecule are generated with the molecular improved generator coordinate Hartree-Fock (HF) method. At theHF level, total and orbital energies and electric dipole moment and, at the second-or...
Gardado en:
| Publicado en: | Brazilian Journal of Physics |
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| Principais autores: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Sociedade Brasileira de Física
2005
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| Assuntos: | |
| Acceso en liña: | https://www.redalyc.org/articulo.oa?id=46435610 |
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