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authors [2019/12/12 07:46] mk.nayak72authors [2021/05/28 17:33] – [Authors] hjaaj
Line 6: Line 6:
 **Trond Saue** \\ **Trond Saue** \\
 http://dirac.ups-tlse.fr/saue \\ http://dirac.ups-tlse.fr/saue \\
 +ORCID: [[https://orcid.org/0000-0001-6407-0305|0000-0001-6407-0305]]\\
  general structure, closed-shell Hartree-Fock, density functional theory module,  general structure, closed-shell Hartree-Fock, density functional theory module,
  quaternion symmetry scheme, wave function analysis  quaternion symmetry scheme, wave function analysis
Line 12: 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>
 ---- ----
Line 26: Line 28:
 **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 33: 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 46: Line 50:
 **Andre Severo Pereira Gomes** \\ **Andre Severo Pereira Gomes** \\
 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]]\\
 +
  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)
 </columns> </columns>
Line 55: 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 \\ 
- spin-rotation constants+ORCID: [[https://orcid.org/0000-0003-3501-0957|0000-0003-3501-0957]]\\ 
 + Nuclear spin-rotation constants, molecular rotational g-tensors
 </columns> </columns>
 ---- ----
Line 176: Line 183:
 **Stefan Knecht** \\ **Stefan Knecht** \\
 [[http://stefanknecht.xyz|http://stefanknecht.xyz]] \\ [[http://stefanknecht.xyz|http://stefanknecht.xyz]] \\
-  * general parallel framework +ORCID: [[https://orcid.org/0000-0001-9818-2372|0000-0001-9818-2372]]\\ 
-  * parallel KRMCSCF/KRCI/KRCI property modules + general parallel frameworkparallel KRMCSCF/KRCI/KRCI property modulesX2C Hamiltonian (regular,local, molecular mean-field), X-AMFI, relativistic DMRG+Q corrections for KRCI
-  * X2C Hamiltonian (regular,local,molecular mean-field) +
-  * relativistic DMRG +
-  * +Q corrections for KRCI+
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 <newcolumn> <newcolumn>
-** Stanislav Komorovský ** \\+** Stanislav Komorovsky ** \\
  second-order optimization of localization functions   second-order optimization of localization functions 
 </columns> </columns>
Line 209: Line 213:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:yoon_sup_lee.jpg?100|}} 
 <newcolumn> <newcolumn>
 **Yoon Sup Lee** \\ **Yoon Sup Lee** \\
Line 216: Line 219:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:senjean.png?100|}}+{{:developers:nanna_holmgaard_list.png?100|}}
 <newcolumn> <newcolumn>
-**Bruno Senjean** \\ +**Nanna Holmgaard List** \\ 
- OpenFermion interface+ Linear absorption beyond the electric-dipole approximation 
 </columns> </columns>
 ---- ----
Line 243: Line 246:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{:developers:gosia_olejniczak_profile.png?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 260: Line 266:
 **Jógvan Magnus H.  Olsen** \\ **Jógvan Magnus H.  Olsen** \\
  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 290: Line 303:
 ** Roberto Di Remigio ** \\ ** Roberto Di Remigio ** \\
  Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential   Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:MichalRepisky.jpg?100|}}
 +<newcolumn>
 +**Michal Repisky** \\
 + integral library InteRest, X-AMFI X2C Hamiltonian, ReSpect interface 
 </columns> </columns>
 ---- ----
Line 310: Line 330:
 **Bernd Schimmelpfennig** \\ **Bernd Schimmelpfennig** \\
  atomic mean-field integrals (AMFI)   atomic mean-field integrals (AMFI) 
 +</columns>
 +--------
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:senjean.png?100|}}
 +<newcolumn>
 +**Bruno Senjean** \\
 + OpenFermion interface
 </columns> </columns>
 ---- ----
Line 323: Line 350:
 **Jetze Sikkema** \\ **Jetze Sikkema** \\
  xyz input module, molecular mean-field   xyz input module, molecular mean-field 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:ayaki_sunaga.png?100|}}
 +<newcolumn>
 +**Ayaki Sunaga** \\
 +https://researchmap.jp/asunaga/?lang=en \\
 +ORCID: [[https://orcid.org/0000-0002-3802-680X]]\\
 + atomic supersymmetry 
 </columns> </columns>
 ---- ----
Line 390: Line 426:
 </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 custer, ExaCorr Development
 +</columns>
authors.txt · Last modified: 2024/02/21 16:33 by jbrandejs

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