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authors [2022/01/26 18:13] aspgauthors [2024/02/21 16:33] (current) jbrandejs
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 100: Line 116:
 <newcolumn> <newcolumn>
 **Ephraim Eliav** \\ **Ephraim Eliav** \\
 +ORCID: [[https://orcid.org/0000-0002-2656-4934|0000-0002-2656-4934]]\\
  Fock space Coupled Cluster (FSCC), Intermediate Hamiltonian Fock space coupled cluster (IH-FSCC)   Fock space Coupled Cluster (FSCC), Intermediate Hamiltonian Fock space coupled cluster (IH-FSCC) 
 </columns> </columns>
Line 114: Line 131:
 <newcolumn> <newcolumn>
 **Elke Fasshauer** \\ **Elke Fasshauer** \\
-http://www.pci.uni-heidelberg.de/tc/usr/elke/ \\ 
 ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\ ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\
  FanoADC, testing   FanoADC, testing 
Line 125: Line 141:
 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>
 ---- ----
Line 158: Line 173:
 <newcolumn> <newcolumn>
 **Trygve Helgaker** \\ **Trygve Helgaker** \\
 +ORCID: [[https://orcid.org/0000-0002-5032-8392|0000-0002-5032-8392]]\\
  integral code, density functional theory module   integral code, density functional theory module 
 </columns> </columns>
Line 206: Line 222:
 <newcolumn> <newcolumn>
 ** Stanislav Komorovsky ** \\ ** Stanislav Komorovsky ** \\
 +ORCID: [[https://orcid.org/0000-0002-5317-7200|0000-0002-5317-7200]]\\
  second-order optimization of localization functions   second-order optimization of localization functions 
 </columns> </columns>
Line 212: Line 229:
 <newcolumn> <newcolumn>
 ** Ossama Kullie ** \\ ** Ossama Kullie ** \\
 +ORCID: [[https://orcid.org/0000-0003-3931-7235|0000-0003-3931-7235]]\\
  range-separated MP2   range-separated MP2 
 </columns> </columns>
Line 219: Line 237:
 <newcolumn> <newcolumn>
 **Jon K. Laerdahl** \\ **Jon K. Laerdahl** \\
 +ORCID: [[https://orcid.org/0000-0002-0826-9464|0000-0002-0826-9464]]
  direct MP2 module   direct MP2 module 
 </columns> </columns>
Line 252: Line 271:
 <newcolumn> <newcolumn>
 **Malaya Kumar Nayak** \\ **Malaya Kumar Nayak** \\
 +ORCID: [[https://orcid.org/0000-0003-3628-0609|0000-0003-3628-0609]]\\
 General one-electron property modules for expectation values over RAS-CI and KR-CI wave-functions. Specific modules for Magnetic hyperfine structure, Ne-SPS interaction constant, and Nuclear Magnetic-Quadrupole Moment interaction as expectation values over KR-CI wave-fuction. General one-electron property modules for expectation values over RAS-CI and KR-CI wave-functions. Specific modules for Magnetic hyperfine structure, Ne-SPS interaction constant, and Nuclear Magnetic-Quadrupole Moment interaction as expectation values over KR-CI wave-fuction.
 </columns> </columns>
Line 259: Line 279:
 <newcolumn> <newcolumn>
 **Patrick Norman** \\ **Patrick Norman** \\
 +ORCID: [[https://orcid.org/0000-0002-1191-4954|0000-0002-1191-4954]]\\
  DFT quadratic response, two-photon absorption   DFT quadratic response, two-photon absorption 
 </columns> </columns>
Line 291: 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 320: 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 337: Line 359:
 <newcolumn> <newcolumn>
 **Kenneth Ruud** \\ **Kenneth Ruud** \\
 +ORCID: [[https://orcid.org/0000-0003-1006-8482|0000-0003-1006-8482]]\\
  integral code, in particular for magnetic properties (from Dalton)   integral code, in particular for magnetic properties (from Dalton) 
 </columns> </columns>
Line 357: Line 380:
 <newcolumn> <newcolumn>
 **Bruno Senjean** \\ **Bruno Senjean** \\
 +[[https://orcid.org/0000-0003-1706-015X|https://orcid.org/0000-0003-1706-015X]] \\
  OpenFermion interface  OpenFermion interface
 </columns> </columns>
Line 412: 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 420: 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 434: 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 447: 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 459: 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.1643217204.txt.gz · Last modified: 2022/01/26 18:13 by aspg

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