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authors [2021/09/06 15:45]
avijitshee
authors [2022/01/27 09:18] (current)
timo.fleig
Line 84: Line 84:
 <​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 113: Line 114:
 <​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 122: Line 123:
 **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>​
 ---- ----
Line 135: Line 136:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
 +{{::​halbert.jpeg?​100|}}
 <​newcolumn>​ <​newcolumn>​
 **Loïc Halbert** \\ **Loïc Halbert** \\
 +ORCID: [[https://​orcid.org/​0000-0003-4257-6086|0000-0003-4257-6086]]\\
 Equation of motion coupled cluster (EOMCC), core properties Equation of motion coupled cluster (EOMCC), core properties
 </​columns>​ </​columns>​
Line 144: Line 147:
 <​newcolumn>​ <​newcolumn>​
 **Erik Donovan Hedegård** \\ **Erik Donovan Hedegård** \\
 +ORCID: [[https://​orcid.org/​0000-0002-3868-1206|0000-0002-3868-1206]]\\
 http://​www.teokem.lu.se/​people/​postdocs/​hedegaard/​ \\ http://​www.teokem.lu.se/​people/​postdocs/​hedegaard/​ \\
  ​polarizable embedding  ​polarizable embedding
Line 160: Line 164:
 **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 166: Line 178:
 <​newcolumn>​ <​newcolumn>​
 **Miroslav Iliaš** \\ **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,  ​two-component Hamiltonians,​ London orbitals, maintenance and bugfixing,
 </​columns>​ </​columns>​
Line 175: Line 188:
 **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 222: Line 236:
 <​newcolumn>​ <​newcolumn>​
 **Nanna Holmgaard List** \\ **Nanna Holmgaard List** \\
 +ORCID: [[https://​orcid.org/​0000-0002-0246-3995|0000-0002-0246-3995]]\\
  ​Linear absorption beyond the electric-dipole approximation ​  ​Linear absorption beyond the electric-dipole approximation ​
 </​columns>​ </​columns>​
Line 246: Line 261:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:​developers:​gosia_olejniczak_profile.png?100|}}+{{:​developers:​gosia_olejniczak_profile.jpg?100|}}
 <​newcolumn>​ <​newcolumn>​
 **Gosia Olejniczak** \\ **Gosia Olejniczak** \\
Line 264: Line 279:
 {{:​developers:​jmho.jpg?​100|}} {{:​developers:​jmho.jpg?​100|}}
 <​newcolumn>​ <​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  ​polarizable embedding
 </​columns>​ </​columns>​
Line 302: Line 319:
 <​newcolumn>​ <​newcolumn>​
 ** Roberto Di Remigio ** \\ ** Roberto Di Remigio ** \\
 +ORCID: [[https://​orcid.org/​0000-0002-5452-9239|0000-0002-5452-9239]]\\
  ​Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential ​  ​Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential ​
 </​columns>​ </​columns>​
Line 309: Line 327:
 <​newcolumn>​ <​newcolumn>​
 **Michal Repisky** \\ **Michal Repisky** \\
-ORCID: [[https://​orcid.org/​0000-0003-0776-4137]]\\+ORCID: [[https://​orcid.org/​0000-0003-0776-4137|0000-0003-0776-4137]]\\
  ​integral library InteRest, X-AMFI X2C Hamiltonian,​ ReSpect interface ​  ​integral library InteRest, X-AMFI X2C Hamiltonian,​ ReSpect interface ​
 </​columns>​ </​columns>​
Line 317: Line 335:
 <​newcolumn>​ <​newcolumn>​
 **Kenneth Ruud** \\ **Kenneth Ruud** \\
 +ORCID: [[https://​orcid.org/​0000-0003-1006-8482|0000-0003-1006-8482]]\\
  ​integral code, in particular for magnetic properties (from Dalton) ​  ​integral code, in particular for magnetic properties (from Dalton) ​
 </​columns>​ </​columns>​
Line 337: Line 356:
 <​newcolumn>​ <​newcolumn>​
 **Bruno Senjean** \\ **Bruno Senjean** \\
 +[[https://​orcid.org/​0000-0003-1706-015X|https://​orcid.org/​0000-0003-1706-015X]] \\
  ​OpenFermion interface  ​OpenFermion interface
 </​columns>​ </​columns>​
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:headshot.JPG?100|}}+{{:​headshot.jpg?200|}}
 <​newcolumn>​ <​newcolumn>​
 **Avijit Shee** \\ **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  ​General tensor contraction infrastucture in RELCCSD, CC expectation values
 </​columns>​ </​columns>​
Line 359: Line 380:
 **Ayaki Sunaga** \\ **Ayaki Sunaga** \\
 https://​researchmap.jp/​asunaga/?​lang=en \\ https://​researchmap.jp/​asunaga/?​lang=en \\
-ORCID: [[https://​orcid.org/​0000-0002-3802-680X]]\\+ORCID: [[https://​orcid.org/​0000-0002-3802-680X|0000-0002-3802-680X]]\\
  ​atomic supersymmetry ​  ​atomic supersymmetry ​
 </​columns>​ </​columns>​
Line 391: Line 412:
 **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]]\\
 Equation of motion coupled cluster (EOMCC), core properties Equation of motion coupled cluster (EOMCC), core properties
 </​columns>​ </​columns>​
Line 433: Line 455:
 **Johann V. Pototschnig** \\ **Johann V. Pototschnig** \\
 ORCID: [[https://​orcid.org/​0000-0002-9982-0556|0000-0002-9982-0556]]\\ ORCID: [[https://​orcid.org/​0000-0002-9982-0556|0000-0002-9982-0556]]\\
- ​Relativistic coupled ​custer, ExaCorr Development+ ​Relativistic coupled ​cluster, ExaCorr Development 
 +</​columns>​ 
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +{{::?​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 
 +</​columns>​ 
 +---- 
 +<columns 100% first column attributes 15% second column attributes -> 
 +{{::?​direct&​100|}} 
 +<​newcolumn>​ 
 +**Chima Chibueze** \\ 
 + ​Relativistic coupled cluster, ​ ExaCorr Development : open-shell systems
 </​columns>​ </​columns>​
authors.1630935952.txt.gz · Last modified: 2021/09/06 15:45 by avijitshee