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authors [2025/09/22 20:15] agustin_aucarauthors [2026/02/02 15:35] (current) aspg
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 https://pro.univ-lille.fr/andre-severo-pereira-gomes \\ https://pro.univ-lille.fr/andre-severo-pereira-gomes \\
 ORCID: [[https://orcid.org/0000-0002-5437-2251|0000-0002-5437-2251]]\\ ORCID: [[https://orcid.org/0000-0002-5437-2251|0000-0002-5437-2251]]\\
- Frozen-density embedding (FDE) module (DFT-in-DFT and WFT-in-DFT embedding), FDE contributions to molecular properties (electric, magnetic), equation of motion coupled cluster (EOMCC)+ Frozen-density embedding (FDE) module (DFT-in-DFT and WFT-in-DFT embedding), FDE contributions to molecular properties (electric, magnetic), equation of motion coupled cluster (EOMCC; RELCCSD and ExaCorr), CC and EOM-CC response theory (ExaCorr), frozen virtual natural orbital schemes (ExaCorr)
 </columns> </columns>
  
Line 84: Line 84:
 <newcolumn> <newcolumn>
 **Jan Brandejs** \\ **Jan Brandejs** \\
 +https://janbrandejs.github.io \\
 ORCID: [[https://orcid.org/0000-0002-2107-3095|0000-0002-2107-3095]]\\ ORCID: [[https://orcid.org/0000-0002-2107-3095|0000-0002-2107-3095]]\\
  ExaCorr Development: Automatically generated relativistic coupled cluster  ExaCorr Development: Automatically generated relativistic coupled cluster
Line 132: Line 133:
 **Thomas Enevoldsen** \\ **Thomas Enevoldsen** \\
  NMR property module, London orbitals   NMR property module, London orbitals 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:fabbro2.jpg?100|}}
 +<newcolumn>
 +**Gabriele Fabbro** \\
 +ORCID: [[https://orcid.org/0009-0009-7625-7906]]\\
 + ExaCorr Development: Automatically generated high-order relativistic coupled-cluster expectation values. 
 </columns> </columns>
 ---- ----
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 ORCID: [[https://orcid.org/0000-0001-7655-2993|0000-0001-7655-2993]]\\ ORCID: [[https://orcid.org/0000-0001-7655-2993|0000-0001-7655-2993]]\\
  Polarizable density embedding (PDE)  Polarizable density embedding (PDE)
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +<newcolumn>
 +**Maxime Le ** \\
 + ExaCorr code: frozen virtual natural orbitals for excited states and response properties
 </columns> </columns>
 ---- ----
Line 274: Line 289:
 **Yoon Sup Lee** \\ **Yoon Sup Lee** \\
  relativistic effective core potentials   relativistic effective core potentials 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +<newcolumn>
 +** Thomas Lejeune** \\
 +ORCID: [[https://orcid.org/0000-0002-1385-406X|0000-0002-1385-406X]]\\
 + ExaCorr code: CIS(D) energies
 </columns> </columns>
 ---- ----
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 **Xiang Yuan** \\ **Xiang Yuan** \\
 ORCID: [[https://orcid.org/0000-0001-8928-9872|0000-0001-8928-9872]]\\ ORCID: [[https://orcid.org/0000-0001-8928-9872|0000-0001-8928-9872]]\\
- Relativistic coupled cluster,  ExaCorr Development : MP2 frozen natural orbitals;+ Relativistic coupled cluster,  ExaCorr Development : Frozen virtual natural orbitals for ground and excited states, response properties;
 Equation-of-motion energy, coupled cluster response: linear and quadratic (damped) response properties, two-photon absorption Equation-of-motion energy, coupled cluster response: linear and quadratic (damped) response properties, two-photon absorption
 </columns> </columns>
authors.1758572123.txt.gz · Last modified: 2025/09/22 20:15 by agustin_aucar

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