Mixed Basis Sets for Atomic Calculations
Many numerical methods of atomic calculations use one-electron basis sets. These basis sets must meet rather contradictory requirements. On the one hand, they must include physically justified orbitals, such as Dirac−Fock ones, for the one-electron states with high occupation numbers. On t...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-09-01
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| Series: | Atoms |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2218-2004/7/3/92 |