DIRAC

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==== Authors ====

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**Trond Saue** \\
http://dirac.ups-tlse.fr/saue \\
 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** \\
http://www.chem.vu.nl/~visscher/ \\
 general structure, relativistic coupled cluster methods, L&eacute;vy-Leblond equation,
 spinfree Dirac equation, 4-index transformation module,
 direct CI module (from MOLFDIR) 
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**Hans Jørgen Aagaard Jensen** \\
http://www.sdu.dk/staff/hjj.aspx \\
 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** \\
http://bast.fr \\
 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 \\
 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)
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==== Contributors ====

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**Ignacio A. Aucar** \\
https://imit.conicet.gov.ar/en_aucar-i-agustin/?lan=en\\
 spin-rotation constants
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**Vebjørn Bakken** \\
 parallelization of direct MP2 module, symmetry recognition and geometry optimization (from Dalton) 
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**Sebastien Dubillard** \\
 Pipek-Mezey localization of orbitals 
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**Kenneth G. Dyall** \\
 basis sets 
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**Ulf Ekström** \\
http://admol.org/uekstrom \\
 STEX, plumbing 
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**Ephraim Eliav** \\
 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** \\
http://www.pci.uni-heidelberg.de/tc/usr/elke/ \\
 FanoADC, testing 
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**Timo Fleig** \\
http://dirac.ups-tlse.fr/fleig/ \\
 large-scale electron correlation modules, Configuration Interaction (LUCITA, LUCIAREL), LUCIAREL in KR-MCSCF,
 contributions to General-Order Coupled Cluster,
 linear-response CC for excitation energies, electron EDM enhancement factors as KR-CI expectation values 
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**Olav Fossgaard** \\
 density functional theory module 
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**Loïc Halbert** \\
Equation of motion coupled cluster (EOMCC), core properties
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**Erik Donovan Hedegård** \\
http://www.teokem.lu.se/people/postdocs/hedegaard/ \\
 polarizable embedding
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**Trygve Helgaker** \\
 integral code, density functional theory module 
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**Johan Henriksson** \\
 DFT quadratic response, two-photon absorption 
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**Miroslav Iliaš** \\
http://www.fpv.umb.sk/en/milias/ \\
 two-component Hamiltonians, London orbitals, maintenance and bugfixing,
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**Christoph R. Jacob** \\
http://www.christophjacob.eu \\
 frozen-density embedding and WFT-in-DFT embedding 
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{{:developers:stefan_knecht.jpg?100|}}
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**Stefan Knecht** \\
[[http://www.reiher.ethz.ch/the-group/people/person-detail.html?persid=193620|personal home page]] \\
  * general parallel framework
  * parallel KRMCSCF/KRCI/KRCI property modules
  * X2C Hamiltonian (regular,local,molecular mean-field)
  * relativistic DMRG
  * +Q corrections for KRCI
in progress: 2e-picture-change corrections for the X2C Hamiltonian, state-average DMRG-SCF/MCSCF, relativistic short-range DFT-long-range MCSCF (relMCDFT), relNEVPT2 
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** Stanislav Komorovský ** \\
 second-order optimization of localization functions 
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** Ossama Kullie ** \\
 range-separated MP2 
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**Jon K. Laerdahl** \\
 direct MP2 module 
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**Christoffer V. Larsen** \\
 MP2 first order properties 
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**Yoon Sup Lee** \\
 relativistic effective core potentials 
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**Bruno Senjean** \\
 OpenFermion interface
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**Huliyar Nataraj** \\
 MRCC interface 
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**Malaya Kumar Nayak** \\
A general one-electron property module as expectation values over RAS-CI wave-function, Magnetic hyperfine structure and Ne-SPS interaction constants as expectation values over KR-CI method
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**Patrick Norman** \\
 DFT quadratic response, two-photon absorption 
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**Gosia Olejniczak** \\
 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 H.  Olsen** \\
 polarizable embedding
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**Young Choon Park** \\
 relativistic effective core potentials 
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**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 ** \\
 Polarizable Continuum Model (PCM) for solvent effects, electrostatic potential 
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**Kenneth Ruud** \\
 integral code, in particular for magnetic properties (from Dalton) 
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**Pawel Salek** \\
 density functional theory module 
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**Bernd Schimmelpfennig** \\
 atomic mean-field integrals (AMFI) 
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**Avijit Shee** \\
 General tensor contraction infrastucture in RELCCSD, CC expectation values
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**Jetze Sikkema** \\
 xyz input module, molecular mean-field 
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**Andreas J. Thorvaldsen** \\
 matrix multipy routines, open-ended response 
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**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]] \\
Equation of motion coupled cluster (EOMCC), core properties
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**Sebastien Villaume** \\
 linear response at imaginary frequencies 
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**Olivier Visser** \\
 Configuration Interaction module (written for MOLFDIR) 
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**Lasse Kragh Sørensen** \\
 general order coupled cluster 
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**Toke Winther** \\
 definition of 4-component property types 
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**Shigeyoshi Yamamoto** \\
 permanent and transition dipole moments module linked to COSCI/GOSCI 
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