Differences

This shows you the differences between two versions of the page.

--- authors [2025/01/22 17:52] – visscher
+++ authors [2026/02/02 15:35] (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>
@@ Line 64: / Line 63: @@
 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 84: @@
 <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 94: @@
 **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 133: @@
 **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 152: / Line 168: @@
 ----
 <columns 100% first column attributes 15% second column attributes ->
+{{::kgaul.jpg?100|}}
 <newcolumn>
 **Konstantin J. Gaul** \\
@@ Line 252: / Line 269: @@
 **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 ** \\
+ ExaCorr code: frozen virtual natural orbitals for excited states and response properties
 </columns>
 ----
@@ Line 258: / Line 289: @@
 **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 416: / Line 454: @@
 ----
 <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 506: / Line 544: @@
 **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>