Differences

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--- authors [2018/12/11 05:59] – mk.nayak72
+++ authors [2025/05/06 06:11] (current) – visscher
@@ Line 1: / Line 1: @@
 ==== Authors ====
 <columns 100% first column attributes 15% second column attributes ->
-{{:developers:trond_saue.png?100|}}
+{{::saue2011.jpg?100|}}
 <newcolumn>
 **Trond 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,
  quaternion symmetry scheme, wave function analysis
- (mulliken/projection/visualization), expectation values, linear response module
+ (Mulliken/projection/visualization), expectation values, linear response module,
+ effective QED potentials
 </columns>
 ----
 <columns 100% first column attributes 15% second column attributes ->
-{{:developers:luuk_visscher.jpg?100|}}
+{{:developers:visscher.jpg?100|}}
 <newcolumn>
 **Lucas Visscher** \\
-http://www.chem.vu.nl/~visscher/ \\
+https://sites.google.com/view/qcvu/home \\
- 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>
 ----
@@ Line 27: / Line 29: @@
 **Hans Jørgen Aagaard Jensen** \\
 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,
  open-shell Hartree-Fock, Kramers-restricted MCSCF,
@@ Line 34: / Line 37: @@
 ----
 <columns 100% first column attributes 15% second column attributes ->
-{{:developers:radovan_bast.jpg?100|}}
+{{radovan-bast.jpg?100|}}
 <newcolumn>
 **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,
- 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>
 ==== 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|}}
@@ Line 49: / Line 72: @@
 **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>
 ----
@@ Line 62: / Line 101: @@
 <newcolumn>
 **Kenneth G. Dyall** \\
+ORCID: [[https://orcid.org/0000-0002-5682-3132|0000-0002-5682-3132]]\\
  basis sets
 </columns>
@@ Line 77: / Line 117: @@
 <newcolumn>
 **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)
 </columns>
@@ Line 91: / Line 132: @@
 <newcolumn>
 **Elke Fasshauer** \\
-http://www.pci.uni-heidelberg.de/tc/usr/elke/ \\
+ORCID: [[https://orcid.org/0000-0001-8187-6052]]\\
  FanoADC, testing
 </columns>
@@ Line 100: / Line 141: @@
 **Timo 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 energies, electron EDM enhancement factors as KR-CI expectation values
+ atomic and molecular hyperfine interactions, P,T-violating properties in KR-CI
 </columns>
 ----
@@ Line 112: / Line 153: @@
 ----
 <columns 100% first column attributes 15% second column attributes ->
-{{:developers:andre_gomes.jpg?100|}}
+{{::kgaul.jpg?100|}}
 <newcolumn>
-**Andre Severo Pereira Gomes** \\
+**Konstantin J. Gaul** \\
-http://www.phlam.univ-lille1.fr/spip.php?article31&lang=fr \\
+https://gaulresearch.wordpress.com/ \\
- 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)
+ORCID: [[https://orcid.org/0000-0002-6990-6949|0000-0002-6990-6949]] \\
+ P,T-odd molecular properties
+</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>
 ----
@@ Line 123: / Line 173: @@
 <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
@@ Line 131: / Line 182: @@
 <newcolumn>
 **Trygve Helgaker** \\
+ORCID: [[https://orcid.org/0000-0002-5032-8392|0000-0002-5032-8392]]\\
  integral code, density functional theory module
 </columns>
@@ Line 139: / Line 191: @@
 **Johan Henriksson** \\
  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>
 ----
@@ Line 145: / Line 205: @@
 <newcolumn>
 **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,
 </columns>
@@ Line 154: / Line 215: @@
 **Christoph R. Jacob** \\
 http://www.christophjacob.eu \\
+ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\
  frozen-density embedding and WFT-in-DFT embedding
 </columns>
@@ Line 161: / Line 223: @@
 <newcolumn>
 **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
+ORCID: [[https://orcid.org/0000-0001-9818-2372|0000-0001-9818-2372]]\\
-  * parallel KRMCSCF/KRCI/KRCI property modules
+ general parallel framework, parallel KRMCSCF/KRCI/KRCI property modules, X2C 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
-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 100% first column attributes 15% second column attributes ->
 <newcolumn>
-** Stanislav Komorovský ** \\
+** Stanislav Komorovsky ** \\
+ORCID: [[https://orcid.org/0000-0002-5317-7200|0000-0002-5317-7200]]\\
  second-order optimization of localization functions
 </columns>
@@ Line 179: / Line 238: @@
 <newcolumn>
 ** Ossama Kullie ** \\
+ORCID: [[https://orcid.org/0000-0003-3931-7235|0000-0003-3931-7235]]\\
  range-separated MP2
 </columns>
@@ Line 186: / Line 246: @@
 <newcolumn>
 **Jon K. Laerdahl** \\
+ORCID: [[https://orcid.org/0000-0002-0826-9464|0000-0002-0826-9464]]
  direct MP2 module
 </columns>
@@ Line 196: / Line 257: @@
 ----
 <columns 100% first column attributes 15% second column attributes ->
-{{:developers:yoon_sup_lee.jpg?100|}}
+{{:ernstdlarsson.jpg?100|}}
+<newcolumn>
+**Ernst D. Larsson** \\
+ORCID: [[https://orcid.org/0000-0001-7655-2993|0000-0001-7655-2993]]\\
+ Polarizable density embedding (PDE)
+</columns>
+----
+<columns 100% first column attributes 15% second column attributes ->
 <newcolumn>
 **Yoon Sup Lee** \\
  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>
 ----
@@ Line 212: / Line 288: @@
 <newcolumn>
 **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-SPS) interaction constants as expectation values over KR-CI method
+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>
 ----
@@ Line 219: / Line 296: @@
 <newcolumn>
 **Patrick Norman** \\
+ORCID: [[https://orcid.org/0000-0002-1191-4954|0000-0002-1191-4954]]\\
  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>
@@ Line 238: / Line 319: @@
 {{:developers:jmho.jpg?100|}}
 <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
+</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>
 ----
@@ Line 268: / Line 359: @@
 {{:developers:roberto-di-remigio.jpg?100|}}
 <newcolumn>
-** Roberto Di Remigio ** \\
+** Roberto Di Remigio Eikås ** \\
+ORCID: [[https://orcid.org/0000-0002-5452-9239|0000-0002-5452-9239]]\\
  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** \\
+ORCID: [[https://orcid.org/0000-0003-0776-4137|0000-0003-0776-4137]]\\
+ integral library InteRest, X-AMFI X2C Hamiltonian, ReSpect interface
+</columns>
+----
+<columns 100% first column attributes 15% second column attributes ->
+{{:developers:CarlosRocha.jpg?100|}}
+<newcolumn>
+**Carlos Murilo Romero Rocha** \\
+ORCID: [[https://orcid.org/0000-0002-4118-8308|0000-0002-4118-8308]]\\
+ ASE interface
+</columns>
 ----
 <columns 100% first column attributes 15% second column attributes ->
@@ Line 276: / Line 385: @@
 <newcolumn>
 **Kenneth Ruud** \\
+ORCID: [[https://orcid.org/0000-0003-1006-8482|0000-0003-1006-8482]]\\
  integral code, in particular for magnetic properties (from Dalton)
 </columns>
@@ Line 290: / Line 400: @@
 **Bernd Schimmelpfennig** \\
  atomic mean-field integrals (AMFI)
+</columns>
+--------
+<columns 100% first column attributes 15% second column attributes ->
+{{:developers:senjean.png?100|}}
+<newcolumn>
+**Bruno Senjean** \\
+[[https://orcid.org/0000-0003-1706-015X|https://orcid.org/0000-0003-1706-015X]] \\
+ OpenFermion interface
 </columns>
 ----
 <columns 100% first column attributes 15% second column attributes ->
+{{:headshot.jpg?200|}}
 <newcolumn>
 **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
 </columns>
@@ Line 303: / Line 423: @@
 **Jetze Sikkema** \\
  xyz input module, molecular mean-field
+</columns>
+----
+<columns 100% first column attributes 15% second column attributes ->
+{{:developers:ayaki_sunaga.jpg?100|}}
+<newcolumn>
+**Ayaki Sunaga** \\
+https://researchmap.jp/asunaga/?lang=en \\
+ORCID: [[https://orcid.org/0000-0002-3802-680X|0000-0002-3802-680X]]\\
+ atomic supersymmetry, effective QED potentials
 </columns>
 ----
@@ Line 326: / Line 455: @@
 **Joost van Stralen** \\
  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]] \\
+ORCID: [[https://orcid.org/0000-0003-0653-2078|0000-0003-0653-2078]]\\
+Equation of motion coupled cluster (EOMCC), core properties
 </columns>
 ----
@@ Line 332: / Line 470: @@
 <newcolumn>
 **Sebastien Villaume** \\
+ORCID: [[https://orcid.org/0000-0002-3041-076X|0000-0002-3041-076X]]\\
  linear response at imaginary frequencies
 </columns>
@@ Line 346: / Line 485: @@
 <newcolumn>
 **Lasse Kragh Sørensen** \\
+ORCID: [[https://orcid.org/0000-0002-1931-1867|0000-0002-1931-1867]]\\
  general order coupled cluster
 </columns>
@@ Line 359: / Line 499: @@
 <newcolumn>
 **Shigeyoshi Yamamoto** \\
+ORCID: [[https://orcid.org/0000-0003-3780-534X|0000-0003-3780-534X]]\\
  permanent and transition dipole moments module linked to COSCI/GOSCI
 </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 ->
+{{:developers:2091704298083_.pic_hd.jpg?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;
+Equation-of-motion energy, coupled cluster response: linear and quadratic (damped) response properties, two-photon absorption
+</columns>