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authors [2014/12/10 13:44] tsaueauthors [2024/02/21 16:33] (current) jbrandejs
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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** \\
 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 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>
 ---- ----
Line 25: Line 26:
 {{:developers:hjj.jpg?100|}} {{:developers:hjj.jpg?100|}}
 <newcolumn> <newcolumn>
-**Hans Jørgen Aa. 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 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 \\ 
 +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)
 </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 \\
 +ORCID: [[https://orcid.org/0000-0003-3501-0957|0000-0003-3501-0957]]\\
 + Nuclear spin-rotation constants, molecular rotational g-tensors
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:vebjoern_bakken.jpg?100|}}
 +<newcolumn>
 +**Vebjørn Bakken** \\
 + parallelization of direct MP2 module, symmetry recognition and geometry optimization (from Dalton) 
 +</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 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 100% first column attributes 15% second column attributes ->
 +{{:developers:sebastien_dubillard.jpg?100|}}
 +<newcolumn>
 +**Sebastien Dubillard** \\
 + Pipek-Mezey localization of orbitals 
 +</columns>
 +----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 {{:developers:ken_dyall.jpg?100|}} {{:developers:ken_dyall.jpg?100|}}
 <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 63: Line 116:
 <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 77: Line 131:
 <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 86: Line 140:
 **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>
 ---- ----
 <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 SPGomes** \\ +**Olav Fossgaard** \\ 
- frozen-density embedding+ density functional theory module  
 +</columns> 
 + 
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +{{::halbert.jpeg?100|}} 
 +<newcolumn> 
 +**Loïc Halbert** \\ 
 +ORCID: [[https://orcid.org/0000-0003-4257-6086|0000-0003-4257-6086]]\\ 
 +Equation of motion coupled cluster (EOMCC), core properties 
 +</columns> 
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +{{:developers:erik_hedegard.jpg?100|}} 
 +<newcolumn> 
 +**Erik Donovan Hedegård** \\ 
 +ORCID: [[https://orcid.org/0000-0002-3868-1206|0000-0002-3868-1206]]\\ 
 +http://www.teokem.lu.se/people/postdocs/hedegaard/ \\ 
 + polarizable embedding 
 +</columns> 
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +{{:developers:thelgaker.jpeg?100|}} 
 +<newcolumn> 
 +**Trygve Helgaker** \\ 
 +ORCID: [[https://orcid.org/0000-0002-5032-8392|0000-0002-5032-8392]]\\ 
 + integral code, density functional theory module 
 </columns> </columns>
 ---- ----
Line 103: Line 182:
 **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 108: Line 195:
 {{:developers:miro_ilias.jpg?100|}} {{:developers:miro_ilias.jpg?100|}}
 <newcolumn> <newcolumn>
-**Miroslav Ilias** \\ +**Miroslav Iliaš** \\ 
- two-component Hamiltonians, maintenance and bugfixing, London orbitals +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,
 </columns> </columns>
 ---- ----
Line 117: Line 206:
 **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 124: Line 214:
 <newcolumn> <newcolumn>
 **Stefan Knecht** \\ **Stefan Knecht** \\
-http://www.reiher.ethz.ch/people/knechste \\ +[[http://stefanknecht.xyz|http://stefanknecht.xyz]] \\ 
-  general parallel framework +ORCID: [[https://orcid.org/0000-0001-9818-2372|0000-0001-9818-2372]]\\ 
-  * parallel MCSCF/CI/CI 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) +</columns> 
-  * relativistic DMRG +---- 
-  * +Q corrections for KRCI +<columns 100% first column attributes 15% second column attributes -> 
-in progress2e-picture-change corrections for the X2C Hamiltonian, state-average DMRG-SCF/MCSCF, relativistic short-range DFT-long-range MCSCF (relMCDFT), relNEVPT2 +<newcolumn> 
 +** Stanislav Komorovsky ** \\ 
 +ORCID[[https://orcid.org/0000-0002-5317-7200|0000-0002-5317-7200]]\\ 
 + second-order optimization of localization functions  
 +</columns> 
 +---
 +<columns 100% first column attributes 15% second column attributes -> 
 +<newcolumn> 
 +** Ossama Kullie ** \\ 
 +ORCID: [[https://orcid.org/0000-0003-3931-7235|0000-0003-3931-7235]]\\ 
 + range-separated MP2  
 +</columns> 
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +{{:developers:jon_k_laerdahl.png?100|}} 
 +<newcolumn> 
 +**Jon K. Laerdahl** \\ 
 +ORCID: [[https://orcid.org/0000-0002-0826-9464|0000-0002-0826-9464]] 
 + direct MP2 module  
 +</columns> 
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +<newcolumn> 
 +**Christoffer V. Larsen** \\ 
 + MP2 first order properties 
 </columns> </columns>
 ---- ----
 <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** \\
  relativistic effective core potentials   relativistic effective core potentials 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:nanna_holmgaard_list.png?100|}}
 +<newcolumn>
 +**Nanna Holmgaard List** \\
 +ORCID: [[https://orcid.org/0000-0002-0246-3995|0000-0002-0246-3995]]\\
 + Linear absorption beyond the electric-dipole approximation 
 </columns> </columns>
 ---- ----
Line 144: Line 265:
 **Huliyar Nataraj** \\ **Huliyar Nataraj** \\
  MRCC interface   MRCC interface 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:malaya.jpg?100|}}
 +<newcolumn>
 +**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.
 </columns> </columns>
 ---- ----
Line 150: Line 279:
 <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 100% first column attributes 15% second column attributes ->
 +{{:developers:gosia_olejniczak_profile.jpg?100|}}
 +<newcolumn>
 +**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
 </columns> </columns>
 ---- ----
Line 158: Line 297:
 **Jeppe Olsen** \\ **Jeppe Olsen** \\
  large scale Configuration Interaction and density matrix modules (LUCITA, LUCIAREL)   large scale Configuration Interaction and density matrix modules (LUCITA, LUCIAREL) 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:jmho.jpg?100|}}
 +<newcolumn>
 +**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
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:anastasios_papadopoulos.jpg?100|}}
 +<newcolumn>
 +**Anastasios Papadopoulos** \\
 +ORCID: [[https://orcid.org/0000-0001-7156-1874|0000-0001-7156-1874]]\\
 + ExaCorr module: (Λ)CCSD equations, ReSpect interface
 </columns> </columns>
 ---- ----
Line 165: Line 321:
 **Young Choon Park** \\ **Young Choon Park** \\
  relativistic effective core potentials   relativistic effective core potentials 
 +</columns>
 +----
 +<columns 100% first column attributes 15% second column attributes ->
 +{{:developers:jesper_k_pedersen.jpg?100|}}
 +<newcolumn>
 +**Jesper K. Pedersen** \\
 + modified bare-nucleus start guess 
 </columns> </columns>
 ---- ----
Line 173: Line 336:
 http://www.pci.uni-heidelberg.de/tc/usr/markus/ \\ http://www.pci.uni-heidelberg.de/tc/usr/markus/ \\
  Relativistic one- and two-particle propagator in the Algebraic Diagrammatic Construction  Relativistic one- and two-particle propagator in the Algebraic Diagrammatic Construction
- (RELADC module), Parallelization of the four-component coupled cluster code RELCCSD, + (RELADC module), Parallelization of the four-component coupled cluster code RELCCSD, 
- automatic DC-ADC state and spectra analysis +
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:kenneth_ruud.png?100|}}+{{:developers:roberto-di-remigio.jpg?100|}}
 <newcolumn> <newcolumn>
-**Kenneth Ruud** \\ +** Roberto Di Remigio Eikås ** \\ 
- integral code, in particular for magnetic properties (from Dalton+ORCID: [[https://orcid.org/0000-0002-5452-9239|0000-0002-5452-9239]]\\ 
 + Polarizable Continuum Model (PCMfor solvent effects, electrostatic potential 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{:developers:MichalRepisky.jpg?100|}}
 <newcolumn> <newcolumn>
-**Bernd Schimmelpfennig** \\ +**Michal Repisky** \\ 
- atomic mean-field integrals (AMFI+ORCID: [[https://orcid.org/0000-0003-0776-4137|0000-0003-0776-4137]]\\ 
 + integral library InteRest, X-AMFI X2C Hamiltonian, ReSpect interface 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:jetze_sikkema.jpg?100|}}+{{:developers:kenneth_ruud.png?100|}}
 <newcolumn> <newcolumn>
-**Jetze Sikkema** \\ +**Kenneth Ruud** \\ 
- xyz input module, molecular mean-field +ORCID: [[https://orcid.org/0000-0003-1006-8482|0000-0003-1006-8482]]\\ 
 + integral code, in particular for magnetic properties (from Dalton) 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:andreas_thorvaldsen.gif?100|}}+{{:developers:pawel_salek.jpg?100|}}
 <newcolumn> <newcolumn>
-**Andreas J. Thorvaldsen** \\ +**Pawel Salek** \\ 
- matrix multipy routines, open-ended response + 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:joern_thyssen.jpg?100|}} 
 <newcolumn> <newcolumn>
-**Jørn Thyssen** \\ +**Bernd Schimmelpfennig** \\ 
- molecular gradient, open shell Hartree-Fock, + atomic mean-field integrals (AMFI) 
- original set-up of web pages and administration systems, +
- Kramers-restricted MCSCF module +
 </columns> </columns>
-----+--------
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:sebastien_villaume.jpg?100|}}+{{:developers:senjean.png?100|}}
 <newcolumn> <newcolumn>
-**Sebastien Villaume** \\ +**Bruno Senjean** \\ 
- linear response at imaginary frequencies +[[https://orcid.org/0000-0003-1706-015X|https://orcid.org/0000-0003-1706-015X]] \\ 
 + OpenFermion interface
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:shigeyoshi_yamamoto.png?100|}}+{{:headshot.jpg?200|}}
 <newcolumn> <newcolumn>
-**Shigeyoshi Yamamoto** \\ +**Avijit Shee** \\ 
- permanent and transition dipole moments module linked to COSCI/GOSCI +[[https://orcid.org/0000-0001-5042-3843|https://orcid.org/0000-0001-5042-3843]] \\ 
 + General tensor contraction infrastucture in RELCCSD, CC expectation values
 </columns> </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:jetze_sikkema.jpg?100|}}
 <newcolumn> <newcolumn>
-**Vebjørn Bakken** \\ +**Jetze Sikkema** \\ 
- parallelization of direct MP2 module, symmetry recognition and geometry optimization (from Dalton) + xyz input module, molecular mean-field 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:sebastien_dubillard.jpg?100|}}+{{:developers:ayaki_sunaga.png?100|}}
 <newcolumn> <newcolumn>
-**Sebastien Dubillard** \\ +**Ayaki Sunaga** \\ 
- Pipek-Mezey localization of orbitals +https://researchmap.jp/asunaga/?lang=en \\ 
 +ORCID: [[https://orcid.org/0000-0002-3802-680X|0000-0002-3802-680X]]\\ 
 + atomic supersymmetry 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{:developers:andreas_thorvaldsen.gif?100|}}
 <newcolumn> <newcolumn>
-**Olav Fossgaard** \\ +**Andreas J. Thorvaldsen** \\ 
- density functional theory module + matrix multipy routines, open-ended response 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:thelgaker.jpeg?100|}}+{{:developers:joern_thyssen.jpg?100|}}
 <newcolumn> <newcolumn>
-**Trygve Helgaker** \\ +**Jørn Thyssen** \\ 
- integral codedensity functional theory module + molecular gradientopen shell Hartree-Fock, 
 + original set-up of web pages and administration systems, 
 + Kramers-restricted MCSCF module 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{:developers:joost_van_stralen.jpg?100|}}
 <newcolumn> <newcolumn>
-**Christoffer V. Larsen** \\+**Joost van Stralen** \\
  MP2 first order properties   MP2 first order properties 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:jon_k_laerdahl.png?100|}}+{{:developers:mlv.jpg?100|}}
 <newcolumn> <newcolumn>
-**Jon KLaerdahl** \\ +**Marta LVidal** \\ 
- direct MP2 module +[[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
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:jesper_k_pedersen.jpg?100|}}+{{:developers:sebastien_villaume.jpg?100|}}
 <newcolumn> <newcolumn>
-**Jesper K. Pedersen** \\ +**Sebastien Villaume** \\ 
- modified bare-nucleus start guess +ORCID: [[https://orcid.org/0000-0002-3041-076X|0000-0002-3041-076X]]\\ 
 + linear response at imaginary frequencies 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:roberto-di-remigio.jpg?100|}}+{{:developers:olivier_visser.jpg?100|}}
 <newcolumn> <newcolumn>
-** Roberto di Remigio ** \\ +**Olivier Visser** \\ 
- Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential + Configuration Interaction module (written for MOLFDIR) 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:pawel_salek.jpg?100|}}+{{:developers:lasse_k_soerensen.jpg?100|}}
 <newcolumn> <newcolumn>
-**Pawel Salek** \\ +**Lasse Kragh Sørensen** \\ 
- density functional theory module +ORCID: [[https://orcid.org/0000-0002-1931-1867|0000-0002-1931-1867]]\\ 
 + general order coupled cluster 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:joost_van_stralen.jpg?100|}} 
 <newcolumn> <newcolumn>
-**Joost van Stralen** \\ +**Toke Winther** \\ 
- MP2 first order properties + definition of 4-component property types 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:lasse_k_soerensen.jpg?100|}}+{{:developers:shigeyoshi_yamamoto.png?100|}}
 <newcolumn> <newcolumn>
-**Lasse Kragh Sørensen** \\ +**Shigeyoshi Yamamoto** \\ 
- general order coupled cluster +ORCID: [[https://orcid.org/0000-0003-3780-534X|0000-0003-3780-534X]]\\ 
 + permanent and transition dipole moments module linked to COSCI/GOSCI 
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:olivier_visser.jpg?100|}}+{{::pototschnig.jpg?direct&100|}}
 <newcolumn> <newcolumn>
-**Olivier Visser** \\ +**Johann V. Pototschnig** \\ 
- Configuration Interaction module (written for MOLFDIR) +ORCID: [[https://orcid.org/0000-0002-9982-0556|0000-0002-9982-0556]]\\ 
 + Relativistic coupled cluster, ExaCorr Development
 </columns> </columns>
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{:developers:2091704298083_.pic_hd.jpg?direct&100|}}
 <newcolumn> <newcolumn>
-**Toke Winther** \\ +**Xiang Yuan** \\ 
- definition of 4-component property types +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>
----- 
authors.1418215460.txt.gz · Last modified: 2014/12/10 13:44 by tsaue

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