Poul Jørgensen (chemist)


Poul Jørgensen is professor of chemistry at the Department of Chemistry, Aarhus University, Denmark and director of the qLEAP Center for Theoretical Chemistry at AU, 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 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.

Selected published works

Jørgensen has written more than 350 publications in peer-reviewed international journals, in addition to four books,
He had more than 19,000 citations and a h-index of 68.
He has also organized the "Sostrup Summer School - Quantum Chemistry and Molecular Properties" alongside Trygve Helgaker and Jeppe Olsen biannually since 1990.

Academic career

Jørgensen's career has been outlined in a Special Issue of Advances in Quantum Chemistry