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authors [2016/07/24 20:05] – aspg | authors [2024/02/21 16:33] (current) – jbrandejs | ||
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==== Authors ==== | ==== Authors ==== | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{:developers:trond_saue.png?100|}} | + | {{::saue2011.jpg?100|}} |
< | < | ||
**Trond Saue** \\ | **Trond Saue** \\ | ||
http:// | http:// | ||
+ | ORCID: [[https:// | ||
| | ||
| | ||
Line 13: | Line 13: | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
**Lucas Visscher** \\ | **Lucas Visscher** \\ | ||
- | http://www.chem.vu.nl/~visscher/ \\ | + | https://research.vu.nl/en/ |
- | | + | ORCID: [[https:// |
- | | + | |
- | direct CI module (from MOLFDIR) | + | |
+ | |||
</ | </ | ||
---- | ---- | ||
Line 25: | Line 26: | ||
{{: | {{: | ||
< | < | ||
- | **Hans Jørgen | + | **Hans Jørgen |
http:// | http:// | ||
+ | ORCID: [[http:// | ||
| | ||
| | ||
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---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{radovan-bast.jpg?100|}} |
< | < | ||
**Radovan Bast** \\ | **Radovan Bast** \\ | ||
- | http://bast.fr \\ | + | https:// |
+ | ORCID: [[https:// | ||
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, | + | PV NMR properties, XC evaluation, |
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Andre Severo Pereira Gomes** \\ | ||
+ | https:// | ||
+ | ORCID: [[https:// | ||
+ | |||
+ | | ||
</ | </ | ||
==== Contributors ==== | ==== Contributors ==== | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{:: | ||
+ | < | ||
+ | **Ignacio A. Aucar** \\ | ||
+ | https:// | ||
+ | ORCID: [[https:// | ||
+ | | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Vebjørn Bakken** \\ | ||
+ | | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Jan Brandejs** \\ | ||
+ | ORCID: [[https:// | ||
+ | | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{:: | ||
+ | < | ||
+ | **Chima Chibueze** \\ | ||
+ | ORCID: [[https:// | ||
+ | | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Sebastien Dubillard** \\ | ||
+ | | ||
+ | </ | ||
+ | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
{{: | {{: | ||
< | < | ||
**Kenneth G. Dyall** \\ | **Kenneth G. Dyall** \\ | ||
+ | ORCID: [[https:// | ||
basis sets | basis sets | ||
</ | </ | ||
Line 63: | Line 116: | ||
< | < | ||
**Ephraim Eliav** \\ | **Ephraim Eliav** \\ | ||
+ | ORCID: [[https:// | ||
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) | ||
</ | </ | ||
Line 77: | Line 131: | ||
< | < | ||
**Elke Fasshauer** \\ | **Elke Fasshauer** \\ | ||
- | http://www.pci.uni-heidelberg.de/ | + | ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\ |
| | ||
</ | </ | ||
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**Timo Fleig** \\ | **Timo Fleig** \\ | ||
http:// | http:// | ||
- | large-scale | + | ORCID: [[https:// |
- | | + | Large-scale Configuration Interaction |
- | linear-response CC for excitation energies, electron EDM enhancement factors as KR-CI expectation values | + | atomic and molecular hyperfine interactions, P, |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | ||
< | < | ||
- | **Andre Severo Pereira Gomes** \\ | + | **Olav Fossgaard** \\ |
- | http://www.phlam.univ-lille1.fr/spip.php?article31& | + | |
- | frozen-density embedding and WFT-in-DFT embedding, density | + | </ |
+ | |||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{:: | ||
+ | < | ||
+ | **Loïc Halbert** \\ | ||
+ | ORCID: [[https:// | ||
+ | Equation of motion coupled cluster (EOMCC), core properties | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Erik Donovan Hedegård** \\ | ||
+ | ORCID: [[https:// | ||
+ | http://www.teokem.lu.se/people/ | ||
+ | | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Trygve Helgaker** | ||
+ | ORCID: [[https:// | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
Line 104: | Line 182: | ||
**Johan Henriksson** \\ | **Johan Henriksson** \\ | ||
DFT quadratic response, two-photon absorption | DFT quadratic response, two-photon absorption | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{:: | ||
+ | < | ||
+ | **Martin van Horn** \\ | ||
+ | ORCID: [[https:// | ||
+ | Electronic circular dichroism beyond the electric dipole approximation | ||
</ | </ | ||
---- | ---- | ||
Line 109: | Line 195: | ||
{{: | {{: | ||
< | < | ||
- | **Miroslav | + | **Miroslav |
- | | + | web: http:// |
+ | ORCID: [[https:// | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
Line 118: | Line 206: | ||
**Christoph R. Jacob** \\ | **Christoph R. Jacob** \\ | ||
http:// | http:// | ||
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
Line 125: | Line 214: | ||
< | < | ||
**Stefan Knecht** \\ | **Stefan Knecht** \\ | ||
- | [[http://www.reiher.ethz.ch/the-group/people/person-detail.html? | + | [[http://stefanknecht.xyz|http:// |
- | | + | ORCID: [[https://orcid.org/0000-0001-9818-2372|0000-0001-9818-2372]]\\ |
- | * parallel KRMCSCF/ | + | |
- | * X2C Hamiltonian (regular, | + | </ |
- | * relativistic DMRG | + | ---- |
- | * +Q corrections for KRCI | + | <columns 100% first column attributes 15% second column attributes -> |
- | in progress: 2e-picture-change corrections for the X2C Hamiltonian, | + | < |
+ | ** Stanislav Komorovsky ** \\ | ||
+ | ORCID: [[https:// | ||
+ | | ||
+ | </columns> | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | < | ||
+ | ** Ossama Kullie ** \\ | ||
+ | ORCID: [[https:// | ||
+ | range-separated MP2 | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Jon K. Laerdahl** \\ | ||
+ | ORCID: [[https:// | ||
+ | | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | < | ||
+ | **Christoffer V. Larsen** \\ | ||
+ | MP2 first order properties | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | ||
< | < | ||
**Yoon Sup Lee** \\ | **Yoon Sup Lee** \\ | ||
| | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Nanna Holmgaard List** \\ | ||
+ | ORCID: [[https:// | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
Line 151: | Line 271: | ||
< | < | ||
**Malaya Kumar Nayak** \\ | **Malaya Kumar Nayak** \\ | ||
- | expectation values, including | + | ORCID: [[https:// |
+ | General one-electron property modules for expectation values | ||
</ | </ | ||
---- | ---- | ||
Line 158: | Line 279: | ||
< | < | ||
**Patrick Norman** \\ | **Patrick Norman** \\ | ||
+ | ORCID: [[https:// | ||
DFT quadratic response, two-photon absorption | DFT quadratic response, two-photon absorption | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
< | < | ||
**Gosia Olejniczak** \\ | **Gosia Olejniczak** \\ | ||
+ | [[https:// | ||
+ | ORCID: [[https:// | ||
DFT magnetic properties, frozen density embedding | DFT magnetic properties, frozen density embedding | ||
</ | </ | ||
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---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Young Choon Park** \\ | + | **Jógvan Magnus Haugaard Olsen** \\ |
- | relativistic effective core potentials | + | https:// |
+ | ORCID: [[https:// | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Markus Pernpointner** \\ | + | **Anastasios Papadopoulos** \\ |
- | http://www.pci.uni-heidelberg.de/ | + | ORCID: [[https://orcid.org/ |
- | Relativistic one- and two-particle propagator in the Algebraic Diagrammatic Construction | + | ExaCorr module: |
- | (RELADC module), Parallelization of the four-component coupled cluster code RELCCSD, | + | |
- | | + | |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Kenneth Ruud** \\ | + | **Young Choon Park** \\ |
- | integral code, in particular for magnetic properties (from Dalton) | + | relativistic effective core potentials |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
< | < | ||
- | **Bernd Schimmelpfennig** \\ | + | **Jesper K. Pedersen** \\ |
- | atomic mean-field integrals (AMFI) | + | modified bare-nucleus start guess |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
< | < | ||
- | **Avijit Shee** \\ | + | **Markus Pernpointner** \\ |
- | General tensor contraction infrastucture | + | http:// |
+ | | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Jetze Sikkema** \\ | + | ** Roberto Di Remigio Eikås |
- | xyz input module, molecular mean-field | + | ORCID: [[https:// |
+ | | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Andreas J. Thorvaldsen** \\ | + | **Michal Repisky** \\ |
- | matrix multipy routines, open-ended response | + | ORCID: [[https:// |
+ | | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Jørn Thyssen** \\ | + | **Kenneth Ruud** \\ |
- | molecular gradient, open shell Hartree-Fock, | + | ORCID: [[https:// |
- | | + | |
- | | + | |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Sebastien Villaume** \\ | + | **Pawel Salek** \\ |
- | linear response at imaginary frequencies | + | density functional theory module |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | ||
< | < | ||
- | **Shigeyoshi Yamamoto** \\ | + | **Bernd Schimmelpfennig** \\ |
- | permanent and transition dipole moments module linked to COSCI/ | + | atomic mean-field integrals (AMFI) |
</ | </ | ||
- | ---- | + | -------- |
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Vebjørn Bakken** \\ | + | **Bruno Senjean** \\ |
- | parallelization of direct MP2 module, symmetry recognition and geometry optimization (from Dalton) | + | [[https:// |
+ | | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{:developers: | + | {{:headshot.jpg?200|}} |
< | < | ||
- | **Sebastien Dubillard** \\ | + | **Avijit Shee** \\ |
- | Pipek-Mezey localization of orbitals | + | [[https:// |
+ | | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
< | < | ||
- | **Olav Fossgaard** \\ | + | **Jetze Sikkema** \\ |
- | density functional theory | + | xyz input module, molecular mean-field |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Trygve Helgaker** \\ | + | **Ayaki Sunaga** \\ |
- | integral code, density functional theory module | + | https:// |
+ | ORCID: [[https:// | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
< | < | ||
- | **Christoffer V. Larsen** \\ | + | **Andreas J. Thorvaldsen** \\ |
- | MP2 first order properties | + | matrix multipy routines, open-ended response |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Jon K. Laerdahl** \\ | + | **Jørn Thyssen** \\ |
- | direct MP2 module | + | molecular gradient, open shell Hartree-Fock, |
+ | | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Jesper K. Pedersen** \\ | + | **Joost van Stralen** \\ |
- | modified bare-nucleus start guess | + | MP2 first order properties |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | ** Roberto Di Remigio | + | **Marta L. Vidal** \\ |
- | Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential | + | [[https:// |
+ | ORCID: [[https:// | ||
+ | Equation of motion coupled cluster | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Pawel Salek** \\ | + | **Sebastien Villaume** \\ |
- | density functional theory module | + | ORCID: [[https:// |
+ | | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | + | {{: |
< | < | ||
- | **Joost van Stralen** \\ | + | **Olivier Visser** \\ |
- | MP2 first order properties | + | Configuration Interaction module (written for MOLFDIR) |
</ | </ | ||
---- | ---- | ||
Line 319: | Line 459: | ||
< | < | ||
**Lasse Kragh Sørensen** \\ | **Lasse Kragh Sørensen** \\ | ||
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
- | {{: | ||
< | < | ||
- | **Olivier Visser** \\ | + | **Toke Winther** \\ |
- | Configuration Interaction module (written for MOLFDIR) | + | definition of 4-component property types |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
< | < | ||
- | **Toke Winther** \\ | + | **Shigeyoshi Yamamoto** \\ |
- | definition of 4-component property types | + | ORCID: [[https:// |
+ | | ||
</ | </ | ||
---- | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{:: | ||
+ | < | ||
+ | **Johann V. Pototschnig** \\ | ||
+ | ORCID: [[https:// | ||
+ | | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Xiang Yuan** \\ | ||
+ | ORCID: [[https:// | ||
+ | | ||
+ | Equation-of-motion energy, coupled cluster response: linear and quadratic (damped) response properties, two-photon absorption | ||
+ | </ |
authors.1469383519.txt.gz · Last modified: 2016/07/24 20:05 by aspg