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authors [2022/01/26 22:46] elke [Contributors] |
authors [2022/01/27 09:18] (current) timo.fleig |
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http://dirac.ups-tlse.fr/fleig/ \\ | http://dirac.ups-tlse.fr/fleig/ \\ | ||
ORCID: [[https://orcid.org/0000-0001-6002-2920|0000-0001-6002-2920]]\\ | ORCID: [[https://orcid.org/0000-0001-6002-2920|0000-0001-6002-2920]]\\ | ||
- | large-scale electron correlation modules, Configuration Interaction (LUCITA, LUCIAREL), LUCIAREL in KR-MCSCF, | + | Large-scale Configuration Interaction codes (LUCITA, LUCIAREL in KR-MCSCF and KR-CI), |
- | contributions to General-Order Coupled Cluster, | + | atomic and molecular hyperfine interactions, P,T-violating properties in KR-CI |
- | linear-response CC for excitation energies, electron EDM enhancement factors as KR-CI expectation values | + | |
</columns> | </columns> | ||
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