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authors [2021/05/26 14:04] – [Authors] aspgauthors [2022/01/26 22:46] – [Contributors] elke
Line 13: Line 13:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:luuk_visscher.jpg?100|}}+{{:developers:visscher.jpg?100|}}
 <newcolumn> <newcolumn>
 **Lucas Visscher** \\ **Lucas Visscher** \\
-http://www.chem.vu.nl/~visscher/ \\ +https://research.vu.nl/en/persons/l-visscher \\ 
- general structure, relativistic coupled cluster methods, L&eacute;vy-Leblond equation+ORCID: [[https://orcid.org/0000-0002-7748-6243|0000-0002-7748-6243]]\\ 
- spinfree Dirac equation, 4-index transformation module+ general structure, relativistic coupled cluster methods, direct CI module
- direct CI module (from MOLFDIR) + spinfree Dirac equation, index transformation routines, interfaces
 +  
 </columns> </columns>
 ---- ----
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 **Hans Jørgen Aagaard Jensen** \\ **Hans Jørgen Aagaard Jensen** \\
 http://www.sdu.dk/staff/hjj.aspx \\ http://www.sdu.dk/staff/hjj.aspx \\
 +ORCID: [[http://orcid.org/0000-0002-8743-7381|0000-0002-8743-7381]]\\
  general structure, quaternion symmetry scheme, linear response module, quadratic response module,  general structure, quaternion symmetry scheme, linear response module, quadratic response module,
  open-shell Hartree-Fock, Kramers-restricted MCSCF,  open-shell Hartree-Fock, Kramers-restricted MCSCF,
Line 34: Line 36:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:radovan_bast.jpg?100|}}+{{radovan-bast.jpg?100|}}
 <newcolumn> <newcolumn>
 **Radovan Bast** \\ **Radovan Bast** \\
-http://bast.fr \\+https://bast.fr \\ 
 +ORCID: [[https://orcid.org/0000-0002-7658-1847|0000-0002-7658-1847]]\\
  SDFT linear and quadratic response, higher order response properties, visualization,  SDFT linear and quadratic response, higher order response properties, visualization,
- PV NMR properties, XC evaluation, cmake framework, testing, dashboard, website + PV NMR properties, XC evaluation, CMake framework, testing, dashboard, website 
 </columns> </columns>
 ---- ----
Line 58: Line 61:
 <newcolumn> <newcolumn>
 **Ignacio A. Aucar** \\ **Ignacio A. Aucar** \\
-https://imit.conicet.gov.ar/en_aucar-i-agustin/?lan=en\\+https://imit.conicet.gov.ar/en_aucar-i-agustin/?lan=en \\ 
 +ORCID: [[https://orcid.org/0000-0003-3501-0957|0000-0003-3501-0957]]\\
  Nuclear spin-rotation constants, molecular rotational g-tensors  Nuclear spin-rotation constants, molecular rotational g-tensors
 </columns> </columns>
Line 80: Line 84:
 <newcolumn> <newcolumn>
 **Kenneth G. Dyall** \\ **Kenneth G. Dyall** \\
 +ORCID: [[https://orcid.org/0000-0002-5682-3132|0000-0002-5682-3132]]\\
  basis sets   basis sets 
 </columns> </columns>
Line 109: Line 114:
 <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 118: Line 123:
 **Timo Fleig** \\ **Timo Fleig** \\
 http://dirac.ups-tlse.fr/fleig/ \\ http://dirac.ups-tlse.fr/fleig/ \\
 +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 electron correlation modules, Configuration Interaction (LUCITA, LUCIAREL), LUCIAREL in KR-MCSCF,
  contributions to General-Order Coupled Cluster,  contributions to General-Order Coupled Cluster,
Line 131: Line 137:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{::halbert.jpeg?100|}}
 <newcolumn> <newcolumn>
 **Loïc Halbert** \\ **Loïc Halbert** \\
 +ORCID: [[https://orcid.org/0000-0003-4257-6086|0000-0003-4257-6086]]\\
 Equation of motion coupled cluster (EOMCC), core properties Equation of motion coupled cluster (EOMCC), core properties
 </columns> </columns>
Line 140: Line 148:
 <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 156: Line 165:
 **Johan Henriksson** \\ **Johan Henriksson** \\
  DFT quadratic response, two-photon absorption   DFT quadratic response, two-photon absorption 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{::martin_vanhorn.jpg?100|}}
 +<newcolumn>
 +**Martin van Horn** \\
 +ORCID: [[https://orcid.org/0000-0002-6143-0480]]\\
 +Electronic circular dichroism beyond the electric dipole approximation
 </columns> </columns>
 ---- ----
Line 162: Line 179:
 <newcolumn> <newcolumn>
 **Miroslav Iliaš** \\ **Miroslav Iliaš** \\
-http://www.fpv.umb.sk/en/milias/ \\+web: http://www.fpv.umb.sk/en/milias/ \\ 
 +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 171: Line 189:
 **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 180: Line 199:
 [[http://stefanknecht.xyz|http://stefanknecht.xyz]] \\ [[http://stefanknecht.xyz|http://stefanknecht.xyz]] \\
 ORCID: [[https://orcid.org/0000-0001-9818-2372|0000-0001-9818-2372]]\\ ORCID: [[https://orcid.org/0000-0001-9818-2372|0000-0001-9818-2372]]\\
-  * general parallel framework + general parallel frameworkparallel KRMCSCF/KRCI/KRCI property modulesX2C Hamiltonian (regular,local, molecular mean-field), X-AMFI, relativistic DMRG+Q corrections for KRCI
-  * parallel KRMCSCF/KRCI/KRCI property modules +
-  * X2C Hamiltonian (regular,local,molecular mean-field) +
-  * relativistic DMRG +
-  * +Q corrections for KRCI+
 </columns> </columns>
 ---- ----
Line 222: Line 237:
 <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 246: Line 262:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{:developers:gosia_olejniczak_profile.jpg?100|}}
 <newcolumn> <newcolumn>
 **Gosia Olejniczak** \\ **Gosia Olejniczak** \\
 +[[https://gosiao.github.io/|https://gosiao.github.io/]]\\
 +ORCID: [[https://orcid.org/0000-0002-8370-9570|0000-0002-8370-9570]]\\
  DFT magnetic properties, frozen density embedding  DFT magnetic properties, frozen density embedding
 </columns> </columns>
Line 261: Line 280:
 {{:developers:jmho.jpg?100|}} {{:developers:jmho.jpg?100|}}
 <newcolumn> <newcolumn>
-**Jógvan Magnus H.  Olsen** \\+**Jógvan Magnus Haugaard Olsen** \\ 
 +https://orbit.dtu.dk/en/persons/j%C3%B3gvan-magnus-haugaard-olsen \\ 
 +ORCID: [[https://orcid.org/0000-0001-7487-944X|0000-0001-7487-944X]]\\
  polarizable embedding  polarizable embedding
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:anastasios_papadopoulos.jpg?100|}}
 +<newcolumn>
 +**Anastasios Papadopoulos** \\
 + ExaCorr module: (Λ)CCSD equations, ReSpect interface
 </columns> </columns>
 ---- ----
Line 292: Line 320:
 <newcolumn> <newcolumn>
 ** Roberto Di Remigio ** \\ ** Roberto Di Remigio ** \\
 +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>
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 <newcolumn> <newcolumn>
 **Michal Repisky** \\ **Michal Repisky** \\
 +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 306: Line 336:
 <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 326: Line 357:
 <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>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{:headshot.jpg?200|}}
 <newcolumn> <newcolumn>
 **Avijit Shee** \\ **Avijit Shee** \\
 +[[https://orcid.org/0000-0001-5042-3843|https://orcid.org/0000-0001-5042-3843]] \\
  General tensor contraction infrastucture in RELCCSD, CC expectation values  General tensor contraction infrastucture in RELCCSD, CC expectation values
 </columns> </columns>
Line 347: Line 381:
 **Ayaki Sunaga** \\ **Ayaki Sunaga** \\
 https://researchmap.jp/asunaga/?lang=en \\ https://researchmap.jp/asunaga/?lang=en \\
 +ORCID: [[https://orcid.org/0000-0002-3802-680X|0000-0002-3802-680X]]\\
  atomic supersymmetry   atomic supersymmetry 
 </columns> </columns>
Line 378: Line 413:
 **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]]\\
 Equation of motion coupled cluster (EOMCC), core properties Equation of motion coupled cluster (EOMCC), core properties
 </columns> </columns>
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 </columns> </columns>
 ---- ----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{::pototschnig.jpg?direct&100|}}
 +<newcolumn>
 +**Johann V. Pototschnig** \\
 +ORCID: [[https://orcid.org/0000-0002-9982-0556|0000-0002-9982-0556]]\\
 + Relativistic coupled cluster, ExaCorr Development
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{::?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
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{::?direct&100|}}
 +<newcolumn>
 +**Chima Chibueze** \\
 + Relativistic coupled cluster,  ExaCorr Development : open-shell systems
 +</columns>
authors.txt · Last modified: 2024/02/21 16:33 by jbrandejs

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