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Poul Jørgensen (chemist)
Poul Jørgensen (born March 2, 1944 in Silkeborg, Denmark) is professor of chemistry at the Department of Chemistry, Aarhus University (AU), Denmark and director of the qLEAP Center for Theoretical Chemistry at AU,〔(【引用サイトリンク】title=qLEAP Center for Theoretical Chemistry )〕 which was established in April 2012.
Jørgensen has made seminal contributions to the field of electronic structure theory. He is also one of the main authors of the DALTON program and a member of the International Academy of Quantum Molecular Science.
==Research==
Jørgensen's list of peer-reviewed publications contains numerous self-contained articles which, in many cases, have become central sources within the field of electronic structure theory. His areas of research have been diverse and include work on multi-configurational self-consistent field (MCSCF) methods, Lagrangian techniques for molecular property calculations and analytic derivatives, time-independent and time-dependent linear and non-linear response function theory, coupled cluster perturbation theory, calculation of magnetic molecular properties using gauge invariant methods, showing and explaining the divergence of Møller–Plesset perturbation theory, benchmarking the accuracy of electronic structure models, basis set extrapolation for accurate calculations of energies, linear-scaling coupled cluster algorithms, optimization algorithms for Hartree–Fock and Kohn–Sham theory, and localization of Hartree–Fock orbitals.
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