==== Authors ==== {{::saue2011.jpg?100|}} **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 ---- {{:developers:visscher.jpg?100|}} **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, ---- {{:developers:hjj.jpg?100|}} **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 ---- {{radovan-bast.jpg?100|}} **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 ---- {{:developers:andre_gomes.jpg?100|}} **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 ==== {{::agusaucar.jpg?100|}} **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 ---- {{:developers:vebjoern_bakken.jpg?100|}} **Vebjørn Bakken** \\ parallelization of direct MP2 module, symmetry recognition and geometry optimization (from Dalton) ---- {{:developers:2092704299.jpg?direct&100|}} **Jan Brandejs** \\ ORCID: [[https://orcid.org/0000-0002-2107-3095|0000-0002-2107-3095]]\\ ExaCorr Development: Automatically generated relativistic coupled cluster ---- {{::chima.jpg?direct&100 |}} **Chima Chibueze** \\ ORCID: [[https://orcid.org/0009-0008-3007-4808|0009-0008-3007-4808]]\\ Relativistic coupled cluster, ExaCorr Development : open-shell systems ---- {{:developers:sebastien_dubillard.jpg?100|}} **Sebastien Dubillard** \\ Pipek-Mezey localization of orbitals ---- {{:developers:ken_dyall.jpg?100|}} **Kenneth G. Dyall** \\ ORCID: [[https://orcid.org/0000-0002-5682-3132|0000-0002-5682-3132]]\\ basis sets ---- {{:developers:ulf_ekstroem.jpg?100|}} **Ulf Ekström** \\ http://admol.org/uekstrom \\ STEX, plumbing ---- {{:developers:ephraim_eliav.jpg?100|}} **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) ---- {{:developers:thomas_enevoldsen.jpg?100|}} **Thomas Enevoldsen** \\ NMR property module, London orbitals ---- {{:developers:elke_fasshauer.jpg?100|}} **Elke Fasshauer** \\ ORCID: [[https://orcid.org/0000-0001-8187-6052]]\\ FanoADC, testing ---- {{:developers:timo_fleig.jpg?100|}} **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 ---- {{::halbert.jpeg?100|}} **Loïc Halbert** \\ ORCID: [[https://orcid.org/0000-0003-4257-6086|0000-0003-4257-6086]]\\ Equation of motion coupled cluster (EOMCC), core properties ---- {{:developers:erik_hedegard.jpg?100|}} **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 ---- {{:developers:thelgaker.jpeg?100|}} **Trygve Helgaker** \\ ORCID: [[https://orcid.org/0000-0002-5032-8392|0000-0002-5032-8392]]\\ integral code, density functional theory module ---- {{:developers:johan_henriksson.jpg?100|}} **Johan Henriksson** \\ DFT quadratic response, two-photon absorption ---- {{::martin_vanhorn.jpg?100|}} **Martin van Horn** \\ ORCID: [[https://orcid.org/0000-0002-6143-0480]]\\ Electronic circular dichroism beyond the electric dipole approximation ---- {{:developers:miro_ilias.jpg?100|}} **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, ---- {{:developers:christoph_jacob.jpg?100|}} **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 ---- {{:developers:stefan_knecht.jpg?100|}} **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 ---- {{:developers:jon_k_laerdahl.png?100|}} **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 ---- {{:developers:nanna_holmgaard_list.png?100|}} **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 ---- {{:malaya.jpg?100|}} **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. ---- {{:developers:patrick_norman.jpg?100|}} **Patrick Norman** \\ ORCID: [[https://orcid.org/0000-0002-1191-4954|0000-0002-1191-4954]]\\ DFT quadratic response, two-photon absorption ---- {{:developers:gosia_olejniczak_profile.jpg?100|}} **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 ---- {{:developers:jeppe_olsen.jpg?100|}} **Jeppe Olsen** \\ large scale Configuration Interaction and density matrix modules (LUCITA, LUCIAREL) ---- {{:developers:jmho.jpg?100|}} **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 ---- {{:developers:anastasios_papadopoulos.jpg?100|}} **Anastasios Papadopoulos** \\ ORCID: [[https://orcid.org/0000-0001-7156-1874|0000-0001-7156-1874]]\\ ExaCorr module: (Λ)CCSD equations, ReSpect interface ---- {{:developers:young_choon_park.jpg?100|}} **Young Choon Park** \\ relativistic effective core potentials ---- {{:developers:jesper_k_pedersen.jpg?100|}} **Jesper K. Pedersen** \\ modified bare-nucleus start guess ---- {{:developers:markus_pernpointner.jpg?100|}} **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, ---- {{:developers:roberto-di-remigio.jpg?100|}} ** 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 ---- {{:developers:kenneth_ruud.png?100|}} **Kenneth Ruud** \\ ORCID: [[https://orcid.org/0000-0003-1006-8482|0000-0003-1006-8482]]\\ integral code, in particular for magnetic properties (from Dalton) ---- {{:developers:pawel_salek.jpg?100|}} **Pawel Salek** \\ density functional theory module ---- **Bernd Schimmelpfennig** \\ atomic mean-field integrals (AMFI) -------- {{:developers:senjean.png?100|}} **Bruno Senjean** \\ [[https://orcid.org/0000-0003-1706-015X|https://orcid.org/0000-0003-1706-015X]] \\ OpenFermion interface ---- {{:headshot.jpg?200|}} **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 ---- {{:developers:jetze_sikkema.jpg?100|}} **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 ---- {{:developers:andreas_thorvaldsen.gif?100|}} **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 ---- {{:developers:joost_van_stralen.jpg?100|}} **Joost van Stralen** \\ MP2 first order properties ---- {{:developers:mlv.jpg?100|}} **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 ---- {{:developers:sebastien_villaume.jpg?100|}} **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) ---- {{:developers:lasse_k_soerensen.jpg?100|}} **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 ---- {{::pototschnig.jpg?direct&100|}} **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