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authors [2018/12/11 06:59] mk.nayak72authors [2019/12/12 10:06] tsaue
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- 
 ==== Authors ==== ==== Authors ====
  
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:trond_saue.png?100|}}+{{::saue2011.jpg?100|}}
 <newcolumn> <newcolumn>
 **Trond Saue** \\ **Trond Saue** \\
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  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>
  
 ==== Contributors ==== ==== Contributors ====
  
 +<columns 100% first column attributes 15% second column attributes ->
 +{{::agusaucar.jpg?100|}}
 +<newcolumn>
 +**Ignacio A. Aucar** \\
 +https://imit.conicet.gov.ar/en_aucar-i-agustin/?lan=en\\
 + spin-rotation constants
 +</columns>
 +----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 {{:developers:vebjoern_bakken.jpg?100|}} {{:developers:vebjoern_bakken.jpg?100|}}
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  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>
 ---- ----
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 <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
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   * 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 value over RAS-CI wave-function, Magnetic hyperfine structure and Nucleus-electron Scalar-pseudoscalar (Ne-SPSinteraction 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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 **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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