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authors [2021/05/28 09:10] bast update photo |
authors [2022/01/26 22:46] elke [Contributors] |
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<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, Lévy-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> | ||
---- | ---- | ||
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**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, | ||
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---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{:developers:radovan-bast.jpg?100|}} | + | {{radovan-bast.jpg?100|}} |
<newcolumn> | <newcolumn> | ||
**Radovan Bast** \\ | **Radovan Bast** \\ | ||
https://bast.fr \\ | https://bast.fr \\ | ||
+ | ORCID: [[https://orcid.org/0000-0002-7658-1847|0000-0002-7658-1847]]\\ | ||
SDFT linear and quadratic response, higher order response properties, visualization, | SDFT linear and quadratic response, higher order response properties, visualization, | ||
PV NMR properties, XC evaluation, CMake framework, testing, dashboard, website | PV NMR properties, XC evaluation, CMake framework, testing, dashboard, website | ||
Line 81: | 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> | ||
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<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 119: | Line 123: | ||
**Timo Fleig** \\ | **Timo Fleig** \\ | ||
http://dirac.ups-tlse.fr/fleig/ \\ | http://dirac.ups-tlse.fr/fleig/ \\ | ||
+ | ORCID: [[https://orcid.org/0000-0001-6002-2920|0000-0001-6002-2920]]\\ | ||
large-scale electron correlation modules, Configuration Interaction (LUCITA, LUCIAREL), LUCIAREL in KR-MCSCF, | large-scale electron correlation modules, Configuration Interaction (LUCITA, LUCIAREL), LUCIAREL in KR-MCSCF, | ||
contributions to General-Order Coupled Cluster, | contributions to General-Order Coupled Cluster, | ||
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---- | ---- | ||
<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> | ||
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<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 | ||
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**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> | ||
---- | ---- | ||
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<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> | ||
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**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 219: | Line 237: | ||
<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> | ||
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---- | ---- | ||
<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 261: | Line 280: | ||
{{: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> | ||
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<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> | ||
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<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> | ||
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<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> | ||
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<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> | ||
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**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 386: | Line 413: | ||
**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 428: | Line 456: | ||
**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> |