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authors [2022/01/26 22:46]
elke [Contributors]
authors [2022/01/27 09:18] (current)
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 http://​​fleig/​ \\ http://​​fleig/​ \\
 ORCID: [[https://​​0000-0001-6002-2920|0000-0001-6002-2920]]\\ ORCID: [[https://​​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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authors.txt · Last modified: 2022/01/27 09:18 by timo.fleig