Differences

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--- authors [2025/01/28 10:51] – agustin_aucar
+++ authors [2026/02/20 16:56] (current) – aspg
@@ Line 9: / Line 9: @@
  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>
 ----
@@ Line 16: / Line 17: @@
 <newcolumn>
 **Lucas Visscher** \\
-https://research.vu.nl/en/persons/l-visscher \\
+https://sites.google.com/view/qcvu/home \\
 ORCID: [[https://orcid.org/0000-0002-7748-6243|0000-0002-7748-6243]]\\
  general structure, relativistic coupled cluster methods, direct CI module,
- spinfree Dirac equation, index transformation routines, interfaces,
+ spinfree Dirac equation, index transformation routines, interfaces
 </columns>
 ----
@@ Line 32: / Line 32: @@
  open-shell Hartree-Fock, Kramers-restricted MCSCF,
 c ESR,
- parallellization of CI, London orbitals NMR, two-step X2C (BSSinf, DKHinf), administrator
+ parallelization of CI, London orbitals NMR, two-step X2C (BSSinf, DKHinf), administrator
 </columns>
 ----
@@ Line 42: / Line 42: @@
 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
 </columns>
 ----
@@ Line 51: / Line 51: @@
 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; RELCCSD and ExaCorr), CC and EOM-CC response theory (ExaCorr), frozen virtual natural orbital schemes (ExaCorr)
- 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 ->
+{{:developers:abe.jpg?100|}}
+<newcolumn>
+**Minori Abe** \\
+ORCID: [[https://orcid.org/0000-0001-7420-9454|0000-0001-7420-9454]]\\
+ CASPT2 / RASPT2 code (improved virtual orbitals, CASCI/CASPT2, RASCI/RASPT2 functionalities)
+</columns>
+----
 <columns 100% first column attributes 15% second column attributes ->
 {{::agusaucar.jpg?100|}}
@@ Line 64: / Line 71: @@
 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 ->
+{{::jjaucar.jpg?100|}}
+<newcolumn>
+**Juan J. Aucar** \\
+ORCID: [[https://orcid.org/0000-0002-9065-2242|0000-0002-9065-2242]]\\
+Parity-violating effects in electric field gradients
 </columns>
 ----
@@ Line 77: / Line 92: @@
 <newcolumn>
 **Jan Brandejs** \\
+https://janbrandejs.github.io \\
 ORCID: [[https://orcid.org/0000-0002-2107-3095|0000-0002-2107-3095]]\\
  ExaCorr Development: Automatically generated relativistic coupled cluster
@@ Line 86: / Line 102: @@
 **Chima Chibueze** \\
 ORCID: [[https://orcid.org/0009-0008-3007-4808|0009-0008-3007-4808]]\\
- Relativistic coupled cluster,  ExaCorr Development : open-shell systems
+ Relativistic coupled cluster,  ExaCorr Development: open-shell systems
 </columns>
 ----
@@ Line 125: / Line 141: @@
 **Thomas Enevoldsen** \\
  NMR property module, London orbitals
+</columns>
+----
+<columns 100% first column attributes 15% second column attributes ->
+{{:developers:fabbro2.jpg?100|}}
+<newcolumn>
+**Gabriele Fabbro** \\
+ORCID: [[https://orcid.org/0009-0009-7625-7906]]\\
+ ExaCorr Development: Automatically generated high-order relativistic coupled-cluster expectation values.
 </columns>
 ----
@@ Line 183: / Line 207: @@
 ORCID: [[https://orcid.org/0000-0002-5032-8392|0000-0002-5032-8392]]\\
  integral code, density functional theory module
+</columns>
+----
+<columns 100% first column attributes 15% second column attributes ->
+<newcolumn>
+**Benjamin Helmich-Paris** \\
+ORCID: [[https://orcid.org/0000-0002-3616-9671|0000-0002-3616-9671]]\\
+Relativistic Cholesky-decomposed density matrix MP2, Laplace transform code.
 </columns>
 ----
@@ Line 207: / Line 238: @@
 ORCID: [[https://orcid.org/0000-0002-8038-6489|0000-0002-8038-6489]]\\
  two-component Hamiltonians, London orbitals, maintenance and bugfixing,
+</columns>
+----
+<columns 100% first column attributes 15% second column attributes ->
+{{:developers:iwamuro.jpeg?100|}}
+<newcolumn>
+**Sumika Iwamuro** \\
+CASPT2 / RASPT2 code (improved virtual orbitals, CASCI/CASPT2, RASCI/RASPT2 functionalities)
 </columns>
 ----
@@ Line 253: / Line 291: @@
 **Christoffer V. Larsen** \\
  MP2 first order properties
+</columns>
+----
+<columns 100% first column attributes 15% second column attributes ->
+{{: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>
+**Maxime Le ** \\
+ORCID: [[https://orcid.org/0009-0002-0790-6211|0009-0002-0790-6211]] \\
+ ExaCorr code: frozen virtual natural orbitals for excited states and response properties
 </columns>
 ----
@@ Line 259: / Line 312: @@
 **Yoon Sup Lee** \\
  relativistic effective core potentials
+</columns>
+----
+<columns 100% first column attributes 15% second column attributes ->
+<newcolumn>
+** Thomas Lejeune** \\
+ORCID: [[https://orcid.org/0000-0002-1385-406X|0000-0002-1385-406X]]\\
+ ExaCorr code: CIS(D) energies
 </columns>
 ----
@@ Line 267: / Line 327: @@
 ORCID: [[https://orcid.org/0000-0002-0246-3995|0000-0002-0246-3995]]\\
  Linear absorption beyond the electric-dipole approximation
+</columns>
+----
+<columns 100% first column attributes 15% second column attributes ->
+<newcolumn>
+**Yasuto Masuda** \\
+CASPT2 / RASPT2 code (improved virtual orbitals, CASCI/CASPT2, RASCI/RASPT2 functionalities)
 </columns>
 ----
@@ Line 281: / Line 347: @@
 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 100% first column attributes 15% second column attributes ->
+{{:developers:noda.jpeg?100|}}
+<newcolumn>
+** Kohei Noda ** \\
+https://kohei-noda-qcrg.github.io \\
+CASPT2 / RASPT2 code (improved virtual orbitals, CASCI/CASPT2, RASCI/RASPT2 functionalities)
 </columns>
 ----
@@ Line 289: / Line 363: @@
 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 ->
+<newcolumn>
+**Andreas Nyvang** \\
+KRCI code
 </columns>
 ----
@@ Line 304: / Line 384: @@
 <newcolumn>
 **Jeppe Olsen** \\
+ORCID: [[https://orcid.org/0000-0002-0465-447X|0000-0002-0465-447X]] \\
  large scale Configuration Interaction and density matrix modules (LUCITA, LUCIAREL)
 </columns>
@@ Line 345: / Line 426: @@
  Relativistic one- and two-particle propagator in the Algebraic Diagrammatic Construction
  (RELADC module), Parallelization of the four-component coupled cluster code RELCCSD,
+</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>
 ----
@@ Line 417: / Line 506: @@
 ----
 <columns 100% first column attributes 15% second column attributes ->
-{{:developers:ayaki_sunaga.png?100|}}
+{{: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
+ atomic supersymmetry, effective QED potentials
 </columns>
 ----
@@ Line 492: / Line 581: @@
 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>
 ----
@@ Line 507: / Line 588: @@
 **Xiang Yuan** \\
 ORCID: [[https://orcid.org/0000-0001-8928-9872|0000-0001-8928-9872]]\\
- Relativistic coupled cluster,  ExaCorr Development : MP2 frozen natural orbitals;
+ Relativistic coupled cluster,  ExaCorr Development : Frozen virtual natural orbitals for ground and excited states, response properties;
 Equation-of-motion energy, coupled cluster response: linear and quadratic (damped) response properties, two-photon absorption
 </columns>