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authors [2023/02/23 15:18] tsaueauthors [2024/04/25 09:32] (current) elke
Line 71: Line 71:
 **Vebjørn Bakken** \\ **Vebjørn Bakken** \\
  parallelization of direct MP2 module, symmetry recognition and geometry optimization (from Dalton)   parallelization of direct MP2 module, symmetry recognition and geometry optimization (from Dalton) 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:2092704299.jpg?direct&100|}}
 +<newcolumn>
 +**Jan Brandejs** \\
 +ORCID: [[https://orcid.org/0000-0002-2107-3095|0000-0002-2107-3095]]\\
 + ExaCorr Development: Automatically generated relativistic coupled cluster
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{::chima.jpg?direct&100 |}}
 +<newcolumn>
 +**Chima Chibueze** \\
 +ORCID: [[https://orcid.org/0009-0008-3007-4808|0009-0008-3007-4808]]\\
 + Relativistic coupled cluster,  ExaCorr Development : open-shell systems
 </columns> </columns>
 ---- ----
Line 115: Line 131:
 <newcolumn> <newcolumn>
 **Elke Fasshauer** \\ **Elke Fasshauer** \\
-ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\+ORCID: [[https://orcid.org/0000-0001-8187-6052]]\\
  FanoADC, testing   FanoADC, testing 
 </columns> </columns>
Line 296: Line 312:
 <newcolumn> <newcolumn>
 **Anastasios Papadopoulos** \\ **Anastasios Papadopoulos** \\
 +ORCID: [[https://orcid.org/0000-0001-7156-1874|0000-0001-7156-1874]]\\
  ExaCorr module: (Λ)CCSD equations, ReSpect interface  ExaCorr module: (Λ)CCSD equations, ReSpect interface
 </columns> </columns>
Line 325: Line 342:
 {{:developers:roberto-di-remigio.jpg?100|}} {{:developers:roberto-di-remigio.jpg?100|}}
 <newcolumn> <newcolumn>
-** Roberto Di Remigio ** \\+** Roberto Di Remigio Eikås ** \\
 ORCID: [[https://orcid.org/0000-0002-5452-9239|0000-0002-5452-9239]]\\ ORCID: [[https://orcid.org/0000-0002-5452-9239|0000-0002-5452-9239]]\\
  Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential   Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential 
Line 419: Line 436:
 **Marta L. Vidal** \\ **Marta L. Vidal** \\
 [[https://www.dtu.dk/service/telefonbog/person?id=129401&tab=2&qt=dtupublicationquery]] \\ [[https://www.dtu.dk/service/telefonbog/person?id=129401&tab=2&qt=dtupublicationquery]] \\
-ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\+ORCID: [[https://orcid.org/0000-0003-0653-2078|0000-0003-0653-2078]]\\
 Equation of motion coupled cluster (EOMCC), core properties Equation of motion coupled cluster (EOMCC), core properties
 </columns> </columns>
Line 427: Line 444:
 <newcolumn> <newcolumn>
 **Sebastien Villaume** \\ **Sebastien Villaume** \\
 +ORCID: [[https://orcid.org/0000-0002-3041-076X|0000-0002-3041-076X]]\\
  linear response at imaginary frequencies   linear response at imaginary frequencies 
 </columns> </columns>
Line 441: Line 459:
 <newcolumn> <newcolumn>
 **Lasse Kragh Sørensen** \\ **Lasse Kragh Sørensen** \\
 +ORCID: [[https://orcid.org/0000-0002-1931-1867|0000-0002-1931-1867]]\\
  general order coupled cluster   general order coupled cluster 
 </columns> </columns>
Line 454: Line 473:
 <newcolumn> <newcolumn>
 **Shigeyoshi Yamamoto** \\ **Shigeyoshi Yamamoto** \\
 +ORCID: [[https://orcid.org/0000-0003-3780-534X|0000-0003-3780-534X]]\\
  permanent and transition dipole moments module linked to COSCI/GOSCI   permanent and transition dipole moments module linked to COSCI/GOSCI 
 </columns> </columns>
Line 466: Line 486:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{::?direct&100|}}+{{:developers:2091704298083_.pic_hd.jpg?direct&100|}}
 <newcolumn> <newcolumn>
 **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 : MP2 frozen natural orbitals; 
-</columns> +Equation-of-motion energy, coupled cluster response: linear and quadratic (damped) response propertiestwo-photon absorption
----- +
-<columns 100% first column attributes 15% second column attributes -> +
-{{::?direct&100|}} +
-<newcolumn> +
-**Chima Chibueze** \\ +
- Relativistic coupled cluster,  ExaCorr Development : open-shell systems+
 </columns> </columns>
authors.1677161904.txt.gz · Last modified: 2023/02/23 15:18 by tsaue

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