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authors [2019/11/17 17:50] tsaueauthors [2021/03/05 02:51] – I added "Ayaki Sunaga" into Authors asunaga
Line 39: Line 39:
  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 100% first column attributes 15% second column attributes ->
 +{{:developers:andre_gomes.jpg?100|}}
 +<newcolumn>
 +**Andre Severo Pereira Gomes** \\
 +https://pro.univ-lille.fr/andre-severo-pereira-gomes \\
 + 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>
  
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 {{::agusaucar.jpg?100|}} {{::agusaucar.jpg?100|}}
 <newcolumn> <newcolumn>
-**Agnacio 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  spin-rotation constants
Line 117: Line 125:
  density functional theory module   density functional theory module 
 </columns> </columns>
 +
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:andre_gomes.jpg?100|}} 
 <newcolumn> <newcolumn>
-**Andre Severo Pereira Gomes** \\ +**Loïc Halbert** \\ 
-http://www.phlam.univ-lille1.fr/spip.php?article31&lang=fr \\ +Equation of motion coupled cluster (EOMCC), core properties
- 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 168: Line 175:
 <newcolumn> <newcolumn>
 **Stefan Knecht** \\ **Stefan Knecht** \\
-[[http://www.reiher.ethz.ch/the-group/people/person-detail.html?persid=193620|personal home page]] \\+[[http://stefanknecht.xyz|http://stefanknecht.xyz]] \\
   * general parallel framework   * general parallel framework
   * parallel KRMCSCF/KRCI/KRCI property modules   * parallel KRMCSCF/KRCI/KRCI property modules
Line 174: Line 181:
   * relativistic DMRG   * relativistic DMRG
   * +Q corrections for KRCI   * +Q corrections for KRCI
-in progress: 2e-picture-change corrections for the X2C Hamiltonian, state-average DMRG-SCF/MCSCF, relativistic short-range DFT-long-range MCSCF (relMCDFT), relNEVPT2  
 </columns> </columns>
 ---- ----
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 <newcolumn> <newcolumn>
 **Malaya Kumar Nayak** \\ **Malaya Kumar Nayak** \\
-A general one-electron property module as expectation values over RAS-CI wave-function, Magnetic hyperfine structure and Ne-SPS interaction constants as expectation values over KR-CI method+General one-electron property modules for expectation values over RAS-CI and KR-CI wave-functions. Specific modules for Magnetic hyperfine structureNe-SPS interaction constant, and Nuclear Magnetic-Quadrupole Moment interaction as expectation values over KR-CI wave-fuction.
 </columns> </columns>
 ---- ----
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 **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>
 ---- ----
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 **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 \\
 + atomic supersymmetry 
 </columns> </columns>
 ---- ----
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 **Joost van Stralen** \\ **Joost van Stralen** \\
  MP2 first order properties   MP2 first order properties 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:mlv.jpg?100|}}
 +<newcolumn>
 +**Marta L. Vidal** \\
 +[[https://www.dtu.dk/service/telefonbog/person?id=129401&tab=2&qt=dtupublicationquery]] \\
 +Equation of motion coupled cluster (EOMCC), core properties
 </columns> </columns>
 ---- ----
authors.txt · Last modified: 2024/02/21 16:33 by jbrandejs

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