User Tools

Site Tools


authors

Differences

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

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
authors [2021/05/28 09:14] – adding my orcid bastauthors [2024/02/21 16:33] (current) jbrandejs
Line 13: Line 13:
 ---- ----
 <columns 100% first column attributes 15% second column attributes -> <columns 100% first column attributes 15% second column attributes ->
-{{:developers:luuk_visscher.jpg?100|}}+{{:developers:visscher.jpg?100|}}
 <newcolumn> <newcolumn>
 **Lucas Visscher** \\ **Lucas Visscher** \\
-http://www.chem.vu.nl/~visscher/ \\ +https://research.vu.nl/en/persons/l-visscher \\ 
- 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> </columns>
 ---- ----
Line 27: Line 28:
 **Hans Jørgen Aagaard Jensen** \\ **Hans Jørgen Aagaard Jensen** \\
 http://www.sdu.dk/staff/hjj.aspx \\ 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,  general structure, quaternion symmetry scheme, linear response module, quadratic response module,
  open-shell Hartree-Fock, Kramers-restricted MCSCF,  open-shell Hartree-Fock, Kramers-restricted MCSCF,
Line 69: Line 71:
 **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 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> </columns>
 ---- ----
Line 82: Line 100:
 <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 97: Line 116:
 <newcolumn> <newcolumn>
 **Ephraim Eliav** \\ **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)   Fock space Coupled Cluster (FSCC), Intermediate Hamiltonian Fock space coupled cluster (IH-FSCC) 
 </columns> </columns>
Line 111: Line 131:
 <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 120: Line 140:
 **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 133: Line 153:
 ---- ----
 <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 142: Line 164:
 <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 150: Line 173:
 <newcolumn> <newcolumn>
 **Trygve Helgaker** \\ **Trygve Helgaker** \\
 +ORCID: [[https://orcid.org/0000-0002-5032-8392|0000-0002-5032-8392]]\\
  integral code, density functional theory module   integral code, density functional theory module 
 </columns> </columns>
Line 158: Line 182:
 **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 164: Line 196:
 <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 173: Line 206:
 **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 188: Line 222:
 <newcolumn> <newcolumn>
 ** Stanislav Komorovsky ** \\ ** Stanislav Komorovsky ** \\
 +ORCID: [[https://orcid.org/0000-0002-5317-7200|0000-0002-5317-7200]]\\
  second-order optimization of localization functions   second-order optimization of localization functions 
 </columns> </columns>
Line 194: Line 229:
 <newcolumn> <newcolumn>
 ** Ossama Kullie ** \\ ** Ossama Kullie ** \\
 +ORCID: [[https://orcid.org/0000-0003-3931-7235|0000-0003-3931-7235]]\\
  range-separated MP2   range-separated MP2 
 </columns> </columns>
Line 201: Line 237:
 <newcolumn> <newcolumn>
 **Jon K. Laerdahl** \\ **Jon K. Laerdahl** \\
 +ORCID: [[https://orcid.org/0000-0002-0826-9464|0000-0002-0826-9464]]
  direct MP2 module   direct MP2 module 
 </columns> </columns>
Line 220: Line 257:
 <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 233: Line 271:
 <newcolumn> <newcolumn>
 **Malaya Kumar Nayak** \\ **Malaya Kumar Nayak** \\
 +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. 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>
Line 240: Line 279:
 <newcolumn> <newcolumn>
 **Patrick Norman** \\ **Patrick Norman** \\
 +ORCID: [[https://orcid.org/0000-0002-1191-4954|0000-0002-1191-4954]]\\
  DFT quadratic response, two-photon absorption   DFT quadratic response, two-photon absorption 
 </columns> </columns>
 ---- ----
 <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 262: Line 302:
 {{: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 270: Line 312:
 <newcolumn> <newcolumn>
 **Anastasios Papadopoulos** \\ **Anastasios Papadopoulos** \\
 +ORCID: [[https://orcid.org/0000-0001-7156-1874|0000-0001-7156-1874]]\\
  ExaCorr module: (Λ)CCSD equations, ReSpect interface  ExaCorr module: (Λ)CCSD equations, ReSpect interface
 </columns> </columns>
Line 299: Line 342:
 {{:developers:roberto-di-remigio.jpg?100|}} {{:developers:roberto-di-remigio.jpg?100|}}
 <newcolumn> <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   Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential 
 </columns> </columns>
Line 307: Line 351:
 <newcolumn> <newcolumn>
 **Michal Repisky** \\ **Michal Repisky** \\
 +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 314: Line 359:
 <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 334: Line 380:
 <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 ->
 +{{: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 355: Line 404:
 **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 387: Line 436:
 **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/0000-0003-0653-2078|0000-0003-0653-2078]]\\
 Equation of motion coupled cluster (EOMCC), core properties Equation of motion coupled cluster (EOMCC), core properties
 </columns> </columns>
Line 394: Line 444:
 <newcolumn> <newcolumn>
 **Sebastien Villaume** \\ **Sebastien Villaume** \\
 +ORCID: [[https://orcid.org/0000-0002-3041-076X|0000-0002-3041-076X]]\\
  linear response at imaginary frequencies   linear response at imaginary frequencies 
 </columns> </columns>
Line 408: Line 459:
 <newcolumn> <newcolumn>
 **Lasse Kragh Sørensen** \\ **Lasse Kragh Sørensen** \\
 +ORCID: [[https://orcid.org/0000-0002-1931-1867|0000-0002-1931-1867]]\\
  general order coupled cluster   general order coupled cluster 
 </columns> </columns>
Line 421: Line 473:
 <newcolumn> <newcolumn>
 **Shigeyoshi Yamamoto** \\ **Shigeyoshi Yamamoto** \\
 +ORCID: [[https://orcid.org/0000-0003-3780-534X|0000-0003-3780-534X]]\\
  permanent and transition dipole moments module linked to COSCI/GOSCI   permanent and transition dipole moments module linked to COSCI/GOSCI 
 </columns> </columns>
Line 429: Line 482:
 **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 -> 
 +{{: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> </columns>
authors.1622186050.txt.gz · Last modified: 2021/05/28 09:14 by bast

Donate Powered by PHP Valid HTML5 Valid CSS Driven by DokuWiki