Fine-Tuning of Atomic Energies in Relativistic Multiconfiguration Calculations
Ab initio calculations sometimes do not reproduce the experimentally observed energy separations at a high enough accuracy. Fine-tuning of diagonal elements of the Hamiltonian matrix is a process which seeks to ensure that calculated energy separations of the states that mix are in agreement with ex...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-04-01
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| Series: | Atoms |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2218-2004/11/4/70 |