authors
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authors [2019/12/12 10:06] – tsaue | authors [2024/04/25 09:32] (current) – elke | ||
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**Trond Saue** \\ | **Trond Saue** \\ | ||
http:// | http:// | ||
+ | ORCID: [[https:// | ||
| | ||
| | ||
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---- | ---- | ||
<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) | + | |
+ | |||
</ | </ | ||
---- | ---- | ||
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**Hans Jørgen Aagaard Jensen** \\ | **Hans Jørgen Aagaard Jensen** \\ | ||
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, |
</ | </ | ||
---- | ---- | ||
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**Andre Severo Pereira Gomes** \\ | **Andre Severo Pereira Gomes** \\ | ||
https:// | https:// | ||
+ | ORCID: [[https:// | ||
+ | |||
| | ||
</ | </ | ||
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< | < | ||
**Ignacio A. Aucar** \\ | **Ignacio A. Aucar** \\ | ||
- | https:// | + | https:// |
- | | + | ORCID: [[https:// |
+ | | ||
</ | </ | ||
---- | ---- | ||
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**Vebjørn Bakken** \\ | **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:// | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
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< | < | ||
**Kenneth G. Dyall** \\ | **Kenneth G. Dyall** \\ | ||
+ | ORCID: [[https:// | ||
basis sets | basis sets | ||
</ | </ | ||
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< | < | ||
**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) | ||
</ | </ | ||
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< | < | ||
**Elke Fasshauer** \\ | **Elke Fasshauer** \\ | ||
- | http://www.pci.uni-heidelberg.de/ | + | ORCID: [[https://orcid.org/0000-0001-8187-6052]]\\ |
| | ||
</ | </ | ||
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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, |
</ | </ | ||
---- | ---- | ||
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---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{:: | ||
< | < | ||
**Loïc Halbert** \\ | **Loïc Halbert** \\ | ||
+ | ORCID: [[https:// | ||
Equation of motion coupled cluster (EOMCC), core properties | Equation of motion coupled cluster (EOMCC), core properties | ||
</ | </ | ||
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< | < | ||
**Erik Donovan Hedegård** \\ | **Erik Donovan Hedegård** \\ | ||
+ | ORCID: [[https:// | ||
http:// | http:// | ||
| | ||
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< | < | ||
**Trygve Helgaker** \\ | **Trygve Helgaker** \\ | ||
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
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**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 | ||
</ | </ | ||
---- | ---- | ||
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< | < | ||
**Miroslav Iliaš** \\ | **Miroslav Iliaš** \\ | ||
- | http:// | + | web: http:// |
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
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**Christoph R. Jacob** \\ | **Christoph R. Jacob** \\ | ||
http:// | http:// | ||
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
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**Stefan Knecht** \\ | **Stefan Knecht** \\ | ||
[[http:// | [[http:// | ||
- | * general parallel framework | + | ORCID: [[https:// |
- | * parallel KRMCSCF/ | + | general parallel framework, parallel KRMCSCF/ |
- | * X2C Hamiltonian (regular, | + | |
- | * relativistic DMRG | + | |
- | * +Q corrections for KRCI | + | |
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
< | < | ||
- | ** Stanislav | + | ** Stanislav |
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
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< | < | ||
** Ossama Kullie ** \\ | ** Ossama Kullie ** \\ | ||
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
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< | < | ||
**Jon K. Laerdahl** \\ | **Jon K. Laerdahl** \\ | ||
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
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---- | ---- | ||
<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:// | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
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< | < | ||
**Malaya Kumar Nayak** \\ | **Malaya Kumar Nayak** \\ | ||
+ | ORCID: [[https:// | ||
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. | ||
</ | </ | ||
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< | < | ||
**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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{{: | {{: | ||
< | < | ||
- | **Jógvan Magnus | + | **Jógvan Magnus |
+ | https:// | ||
+ | ORCID: [[https:// | ||
| | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Anastasios Papadopoulos** \\ | ||
+ | ORCID: [[https:// | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
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{{: | {{: | ||
< | < | ||
- | ** Roberto Di Remigio ** \\ | + | ** Roberto Di Remigio |
+ | ORCID: [[https:// | ||
| | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Michal Repisky** \\ | ||
+ | ORCID: [[https:// | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
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< | < | ||
**Kenneth Ruud** \\ | **Kenneth Ruud** \\ | ||
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
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< | < | ||
**Bruno Senjean** \\ | **Bruno Senjean** \\ | ||
+ | [[https:// | ||
| | ||
</ | </ | ||
---- | ---- | ||
<columns 100% first column attributes 15% second column attributes -> | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
< | < | ||
**Avijit Shee** \\ | **Avijit Shee** \\ | ||
+ | [[https:// | ||
| | ||
</ | </ | ||
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**Jetze Sikkema** \\ | **Jetze Sikkema** \\ | ||
xyz input module, molecular mean-field | xyz input module, molecular mean-field | ||
+ | </ | ||
+ | ---- | ||
+ | <columns 100% first column attributes 15% second column attributes -> | ||
+ | {{: | ||
+ | < | ||
+ | **Ayaki Sunaga** \\ | ||
+ | https:// | ||
+ | ORCID: [[https:// | ||
+ | | ||
</ | </ | ||
---- | ---- | ||
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**Marta L. Vidal** \\ | **Marta L. Vidal** \\ | ||
[[https:// | [[https:// | ||
+ | ORCID: [[https:// | ||
Equation of motion coupled cluster (EOMCC), core properties | Equation of motion coupled cluster (EOMCC), core properties | ||
</ | </ | ||
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< | < | ||
**Sebastien Villaume** \\ | **Sebastien Villaume** \\ | ||
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
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< | < | ||
**Lasse Kragh Sørensen** \\ | **Lasse Kragh Sørensen** \\ | ||
+ | ORCID: [[https:// | ||
| | ||
</ | </ | ||
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< | < | ||
**Shigeyoshi Yamamoto** \\ | **Shigeyoshi Yamamoto** \\ | ||
+ | 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.txt · Last modified: 2024/04/25 09:32 by elke