Adapted Gaussian basis sets for atoms from Li through Xe generated with the generator coordinate Hartree-Fock method
The generator coordinate Hartree-Fock method is used to generate adapted Gaussian basis sets for the atoms from Li (Z=3) through Xe (Z=54). In this method the Griffin-Hill-Wheeler-Hartree-Fock equations are integrated through the integral discretization technique. The wave functions generated in thi...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Academia Brasileira de Ciências
2001-12-01
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| Series: | Anais da Academia Brasileira de Ciências |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0001-37652001000400004 |