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authors [2024/01/03 16:19] – [Contributors] aspgauthors [2025/03/01 06:08] (current) asunaga
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  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
- (mulliken/projection/visualization), expectation values, linear response module + (Mulliken/projection/visualization), expectation values, linear response module
 + effective QED potentials
 </columns> </columns>
 ---- ----
Line 71: Line 72:
 **Vebjørn Bakken** \\ **Vebjørn Bakken** \\
  parallelization of direct MP2 module, symmetry recognition and geometry optimization (from Dalton)   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>
 ---- ----
Line 123: Line 132:
 <newcolumn> <newcolumn>
 **Elke Fasshauer** \\ **Elke Fasshauer** \\
-ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\+ORCID: [[https://orcid.org/0000-0001-8187-6052]]\\
  FanoADC, testing   FanoADC, testing 
 </columns> </columns>
Line 142: Line 151:
  density functional theory module   density functional theory module 
 </columns> </columns>
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +{{::kgaul.jpg?100|}} 
 +<newcolumn> 
 +**Konstantin J. Gaul** \\ 
 +https://gaulresearch.wordpress.com/ \\ 
 +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 -> <columns 100% first column attributes 15% second column attributes ->
Line 237: Line 254:
 **Christoffer V. Larsen** \\ **Christoffer V. Larsen** \\
  MP2 first order properties   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>
 ---- ----
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  integral library InteRest, X-AMFI X2C Hamiltonian, ReSpect interface   integral library InteRest, X-AMFI X2C Hamiltonian, ReSpect interface 
 </columns> </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 -> <columns 100% first column attributes 15% second column attributes ->
Line 392: Line 426:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:ayaki_sunaga.png?100|}}+{{:developers:ayaki_sunaga.jpg?100|}}
 <newcolumn> <newcolumn>
 **Ayaki Sunaga** \\ **Ayaki Sunaga** \\
 https://researchmap.jp/asunaga/?lang=en \\ https://researchmap.jp/asunaga/?lang=en \\
 ORCID: [[https://orcid.org/0000-0002-3802-680X|0000-0002-3802-680X]]\\ ORCID: [[https://orcid.org/0000-0002-3802-680X|0000-0002-3802-680X]]\\
- atomic supersymmetry + atomic supersymmetry, effective QED potentials
 </columns> </columns>
 ---- ----
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 **Marta L. Vidal** \\ **Marta L. Vidal** \\
 [[https://www.dtu.dk/service/telefonbog/person?id=129401&tab=2&qt=dtupublicationquery]] \\ [[https://www.dtu.dk/service/telefonbog/person?id=129401&tab=2&qt=dtupublicationquery]] \\
-ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\+ORCID: [[https://orcid.org/0000-0003-0653-2078|0000-0003-0653-2078]]\\
 Equation of motion coupled cluster (EOMCC), core properties Equation of motion coupled cluster (EOMCC), core properties
 </columns> </columns>
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 ORCID: [[https://orcid.org/0000-0001-8928-9872|0000-0001-8928-9872]]\\ 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 : MP2 frozen natural orbitals;
-Equation-of-motion energy, linear (damped) response properties, quadratic response properties, two-photon absorption+Equation-of-motion energy, coupled cluster response: linear and quadratic (damped) response properties, two-photon absorption
 </columns> </columns>
authors.1704298742.txt.gz · Last modified: 2024/01/03 16:19 by aspg

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