| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389580 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
Contracted Gaussian basis set of 5 zeta valence quality plus polarization functions for the atoms from H to Ar are presented. Then, Hartree-Fock, second order correlation, and dissociation energies for a sample of diatomic molecules are calculated and compared with results obtained with other approaches and with experimental data, respectively.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
F.E. Jorge, P.S. Sagrillo, A.R. de Oliveira,