==== Authors ====
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**Trond Saue** \\
http://dirac.ups-tlse.fr/saue \\
ORCID: [[https://orcid.org/0000-0001-6407-0305|0000-0001-6407-0305]]\\
general structure, closed-shell Hartree-Fock, density functional theory module,
quaternion symmetry scheme, wave function analysis
(mulliken/projection/visualization), expectation values, linear response module
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**Lucas Visscher** \\
https://research.vu.nl/en/persons/l-visscher \\
ORCID: [[https://orcid.org/0000-0002-7748-6243|0000-0002-7748-6243]]\\
general structure, relativistic coupled cluster methods, direct CI module,
spinfree Dirac equation, index transformation routines, interfaces,
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**Hans Jørgen Aagaard Jensen** \\
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,
open-shell Hartree-Fock, Kramers-restricted MCSCF,
4c ESR,
parallellization of CI, London orbitals NMR, two-step X2C (BSSinf, DKHinf), administrator
----
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**Radovan Bast** \\
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,
PV NMR properties, XC evaluation, CMake framework, testing, dashboard, website
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**Andre Severo Pereira Gomes** \\
https://pro.univ-lille.fr/andre-severo-pereira-gomes \\
ORCID: [[https://orcid.org/0000-0002-5437-2251|0000-0002-5437-2251]]\\
Frozen-density embedding (FDE) module (DFT-in-DFT and WFT-in-DFT embedding), FDE contributions to molecular properties (electric, magnetic), equation of motion coupled cluster (EOMCC)
==== Contributors ====
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**Ignacio A. Aucar** \\
https://imit.conicet.gov.ar/en_aucar-i-agustin/?lan=en \\
ORCID: [[https://orcid.org/0000-0003-3501-0957|0000-0003-3501-0957]]\\
Nuclear spin-rotation constants, molecular rotational g-tensors
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**Vebjørn Bakken** \\
parallelization of direct MP2 module, symmetry recognition and geometry optimization (from Dalton)
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**Jan Brandejs** \\
ORCID: [[https://orcid.org/0000-0002-2107-3095|0000-0002-2107-3095]]\\
ExaCorr Development: Automatically generated relativistic coupled cluster
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**Chima Chibueze** \\
ORCID: [[https://orcid.org/0009-0008-3007-4808|0009-0008-3007-4808]]\\
Relativistic coupled cluster, ExaCorr Development : open-shell systems
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**Sebastien Dubillard** \\
Pipek-Mezey localization of orbitals
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**Kenneth G. Dyall** \\
ORCID: [[https://orcid.org/0000-0002-5682-3132|0000-0002-5682-3132]]\\
basis sets
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**Ulf Ekström** \\
http://admol.org/uekstrom \\
STEX, plumbing
----
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**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)
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**Thomas Enevoldsen** \\
NMR property module, London orbitals
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**Elke Fasshauer** \\
ORCID: [[https://orcid.org/0000-0001-8187-6052]]\\
FanoADC, testing
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**Timo Fleig** \\
http://dirac.ups-tlse.fr/fleig/ \\
ORCID: [[https://orcid.org/0000-0001-6002-2920|0000-0001-6002-2920]]\\
Large-scale Configuration Interaction codes (LUCITA, LUCIAREL in KR-MCSCF and KR-CI),
atomic and molecular hyperfine interactions, P,T-violating properties in KR-CI
----
**Olav Fossgaard** \\
density functional theory module
----
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**Loïc Halbert** \\
ORCID: [[https://orcid.org/0000-0003-4257-6086|0000-0003-4257-6086]]\\
Equation of motion coupled cluster (EOMCC), core properties
----
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**Erik Donovan Hedegård** \\
ORCID: [[https://orcid.org/0000-0002-3868-1206|0000-0002-3868-1206]]\\
http://www.teokem.lu.se/people/postdocs/hedegaard/ \\
polarizable embedding
----
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**Trygve Helgaker** \\
ORCID: [[https://orcid.org/0000-0002-5032-8392|0000-0002-5032-8392]]\\
integral code, density functional theory module
----
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**Johan Henriksson** \\
DFT quadratic response, two-photon absorption
----
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**Martin van Horn** \\
ORCID: [[https://orcid.org/0000-0002-6143-0480]]\\
Electronic circular dichroism beyond the electric dipole approximation
----
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**Miroslav Iliaš** \\
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,
----
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**Christoph R. Jacob** \\
http://www.christophjacob.eu \\
ORCID: [[https://orcid.org/0000-0002-6227-8476|0000-0002-6227-8476]]\\
frozen-density embedding and WFT-in-DFT embedding
----
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**Stefan Knecht** \\
[[http://stefanknecht.xyz|http://stefanknecht.xyz]] \\
ORCID: [[https://orcid.org/0000-0001-9818-2372|0000-0001-9818-2372]]\\
general parallel framework, parallel KRMCSCF/KRCI/KRCI property modules, X2C Hamiltonian (regular,local, molecular mean-field), X-AMFI, relativistic DMRG, +Q corrections for KRCI
----
** Stanislav Komorovsky ** \\
ORCID: [[https://orcid.org/0000-0002-5317-7200|0000-0002-5317-7200]]\\
second-order optimization of localization functions
----
** Ossama Kullie ** \\
ORCID: [[https://orcid.org/0000-0003-3931-7235|0000-0003-3931-7235]]\\
range-separated MP2
----
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**Jon K. Laerdahl** \\
ORCID: [[https://orcid.org/0000-0002-0826-9464|0000-0002-0826-9464]]
direct MP2 module
----
**Christoffer V. Larsen** \\
MP2 first order properties
----
**Yoon Sup Lee** \\
relativistic effective core potentials
----
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**Nanna Holmgaard List** \\
ORCID: [[https://orcid.org/0000-0002-0246-3995|0000-0002-0246-3995]]\\
Linear absorption beyond the electric-dipole approximation
----
**Huliyar Nataraj** \\
MRCC interface
----
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**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.
----
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**Patrick Norman** \\
ORCID: [[https://orcid.org/0000-0002-1191-4954|0000-0002-1191-4954]]\\
DFT quadratic response, two-photon absorption
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**Gosia Olejniczak** \\
[[https://gosiao.github.io/|https://gosiao.github.io/]]\\
ORCID: [[https://orcid.org/0000-0002-8370-9570|0000-0002-8370-9570]]\\
DFT magnetic properties, frozen density embedding
----
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**Jeppe Olsen** \\
large scale Configuration Interaction and density matrix modules (LUCITA, LUCIAREL)
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**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
----
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**Anastasios Papadopoulos** \\
ORCID: [[https://orcid.org/0000-0001-7156-1874|0000-0001-7156-1874]]\\
ExaCorr module: (Λ)CCSD equations, ReSpect interface
----
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**Young Choon Park** \\
relativistic effective core potentials
----
{{:developers:jesper_k_pedersen.jpg?100|}}
**Jesper K. Pedersen** \\
modified bare-nucleus start guess
----
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**Markus Pernpointner** \\
http://www.pci.uni-heidelberg.de/tc/usr/markus/ \\
Relativistic one- and two-particle propagator in the Algebraic Diagrammatic Construction
(RELADC module), Parallelization of the four-component coupled cluster code RELCCSD,
----
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** 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
----
{{:developers:MichalRepisky.jpg?100|}}
**Michal Repisky** \\
ORCID: [[https://orcid.org/0000-0003-0776-4137|0000-0003-0776-4137]]\\
integral library InteRest, X-AMFI X2C Hamiltonian, ReSpect interface
----
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**Kenneth Ruud** \\
ORCID: [[https://orcid.org/0000-0003-1006-8482|0000-0003-1006-8482]]\\
integral code, in particular for magnetic properties (from Dalton)
----
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**Pawel Salek** \\
density functional theory module
----
**Bernd Schimmelpfennig** \\
atomic mean-field integrals (AMFI)
--------
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**Bruno Senjean** \\
[[https://orcid.org/0000-0003-1706-015X|https://orcid.org/0000-0003-1706-015X]] \\
OpenFermion interface
----
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**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
----
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**Jetze Sikkema** \\
xyz input module, molecular mean-field
----
{{:developers:ayaki_sunaga.png?100|}}
**Ayaki Sunaga** \\
https://researchmap.jp/asunaga/?lang=en \\
ORCID: [[https://orcid.org/0000-0002-3802-680X|0000-0002-3802-680X]]\\
atomic supersymmetry
----
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**Andreas J. Thorvaldsen** \\
matrix multipy routines, open-ended response
----
{{:developers:joern_thyssen.jpg?100|}}
**Jørn Thyssen** \\
molecular gradient, open shell Hartree-Fock,
original set-up of web pages and administration systems,
Kramers-restricted MCSCF module
----
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**Joost van Stralen** \\
MP2 first order properties
----
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**Marta L. Vidal** \\
[[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
----
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**Sebastien Villaume** \\
ORCID: [[https://orcid.org/0000-0002-3041-076X|0000-0002-3041-076X]]\\
linear response at imaginary frequencies
----
{{:developers:olivier_visser.jpg?100|}}
**Olivier Visser** \\
Configuration Interaction module (written for MOLFDIR)
----
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**Lasse Kragh Sørensen** \\
ORCID: [[https://orcid.org/0000-0002-1931-1867|0000-0002-1931-1867]]\\
general order coupled cluster
----
**Toke Winther** \\
definition of 4-component property types
----
{{:developers:shigeyoshi_yamamoto.png?100|}}
**Shigeyoshi Yamamoto** \\
ORCID: [[https://orcid.org/0000-0003-3780-534X|0000-0003-3780-534X]]\\
permanent and transition dipole moments module linked to COSCI/GOSCI
----
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**Johann V. Pototschnig** \\
ORCID: [[https://orcid.org/0000-0002-9982-0556|0000-0002-9982-0556]]\\
Relativistic coupled cluster, ExaCorr Development
----
{{:developers:2091704298083_.pic_hd.jpg?direct&100|}}
**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