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authors [2022/01/26 17:59] aspgauthors [2024/01/19 16:24] – [Contributors] 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 ->
 +{{::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 108:
 <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 123:
 <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]]\\
  FanoADC, testing   FanoADC, testing 
 </columns> </columns>
Line 123: Line 132:
 **Timo Fleig** \\ **Timo Fleig** \\
 http://dirac.ups-tlse.fr/fleig/ \\ http://dirac.ups-tlse.fr/fleig/ \\
- large-scale electron correlation modules, Configuration Interaction (LUCITA, LUCIAREL), LUCIAREL in KR-MCSCF+ORCID: [[https://orcid.org/0000-0001-6002-2920|0000-0001-6002-2920]]\\ 
- contributions to General-Order Coupled Cluster+ Large-scale Configuration Interaction codes (LUCITA, LUCIAREL in KR-MCSCF and KR-CI)
- linear-response CC for excitation energieselectron EDM enhancement factors as KR-CI expectation values + atomic and molecular hyperfine interactionsP,T-violating properties in KR-CI 
 </columns> </columns>
 ---- ----
Line 147: Line 156:
 <newcolumn> <newcolumn>
 **Erik Donovan Hedegård** \\ **Erik Donovan Hedegård** \\
 +ORCID: [[https://orcid.org/0000-0002-3868-1206|0000-0002-3868-1206]]\\
 http://www.teokem.lu.se/people/postdocs/hedegaard/ \\ http://www.teokem.lu.se/people/postdocs/hedegaard/ \\
  polarizable embedding  polarizable embedding
Line 155: Line 165:
 <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 178: Line 189:
 **Miroslav Iliaš** \\ **Miroslav Iliaš** \\
 web: http://www.fpv.umb.sk/en/milias/ \\ web: http://www.fpv.umb.sk/en/milias/ \\
-ORCID: https://orcid.org/0000-0002-8038-6489  \\+ORCID: [[https://orcid.org/0000-0002-8038-6489|0000-0002-8038-6489]]\\
  two-component Hamiltonians, London orbitals, maintenance and bugfixing,  two-component Hamiltonians, London orbitals, maintenance and bugfixing,
 </columns> </columns>
Line 187: Line 198:
 **Christoph R. Jacob** \\ **Christoph R. Jacob** \\
 http://www.christophjacob.eu \\ http://www.christophjacob.eu \\
 +ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\
  frozen-density embedding and WFT-in-DFT embedding   frozen-density embedding and WFT-in-DFT embedding 
 </columns> </columns>
Line 202: Line 214:
 <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 208: Line 221:
 <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 215: Line 229:
 <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 234: Line 249:
 <newcolumn> <newcolumn>
 **Nanna Holmgaard List** \\ **Nanna Holmgaard List** \\
 +ORCID: [[https://orcid.org/0000-0002-0246-3995|0000-0002-0246-3995]]\\
  Linear absorption beyond the electric-dipole approximation   Linear absorption beyond the electric-dipole approximation 
 </columns> </columns>
Line 247: Line 263:
 <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 254: Line 271:
 <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 286: Line 304:
 <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 315: Line 334:
 {{: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]]\\
  Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential   Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential 
 </columns> </columns>
Line 323: Line 343:
 <newcolumn> <newcolumn>
 **Michal Repisky** \\ **Michal Repisky** \\
-ORCID: [[https://orcid.org/0000-0003-0776-4137]]\\+ORCID: [[https://orcid.org/0000-0003-0776-4137|0000-0003-0776-4137]]\\
  integral library InteRest, X-AMFI X2C Hamiltonian, ReSpect interface   integral library InteRest, X-AMFI X2C Hamiltonian, ReSpect interface 
 </columns> </columns>
Line 331: Line 351:
 <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 351: Line 372:
 <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 374: Line 396:
 **Ayaki Sunaga** \\ **Ayaki Sunaga** \\
 https://researchmap.jp/asunaga/?lang=en \\ https://researchmap.jp/asunaga/?lang=en \\
-ORCID: [[https://orcid.org/0000-0002-3802-680X]]\\+ORCID: [[https://orcid.org/0000-0002-3802-680X|0000-0002-3802-680X]]\\
  atomic supersymmetry   atomic supersymmetry 
 </columns> </columns>
Line 406: Line 428:
 **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/0000-0003-0653-2078|0000-0003-0653-2078]]\\
 Equation of motion coupled cluster (EOMCC), core properties Equation of motion coupled cluster (EOMCC), core properties
 </columns> </columns>
Line 413: Line 436:
 <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 427: Line 451:
 <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 440: Line 465:
 <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 448: Line 474:
 **Johann V. Pototschnig** \\ **Johann V. Pototschnig** \\
 ORCID: [[https://orcid.org/0000-0002-9982-0556|0000-0002-9982-0556]]\\ ORCID: [[https://orcid.org/0000-0002-9982-0556|0000-0002-9982-0556]]\\
- Relativistic coupled custer, ExaCorr Development+ Relativistic coupled cluster, ExaCorr Development 
 +</columns> 
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +{{:developers:2091704298083_.pic_hd.jpg?direct&100|}} 
 +<newcolumn> 
 +**Xiang Yuan** \\ 
 +ORCID: [[https://orcid.org/0000-0001-8928-9872|0000-0001-8928-9872]]\\ 
 + Relativistic coupled cluster,  ExaCorr Development : MP2 frozen natural orbitals; 
 +Equation-of-motion energy, coupled cluster response: linear and quadratic (damped) response properties, two-photon absorption 
 +</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>
authors.txt · Last modified: 2024/04/25 09:32 by elke

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