Poul Jørgensen (born 2 March 1944 in

Silkeborg Silkeborg () is a Danish town with a population of 49,747 (1 January 2022).Aarhus University Aarhus University ( da, Aarhus Universitet, abbreviated AU) is a public research university with its main campus located in Aarhus, Denmark. It is the second largest and second oldest university in Denmark. The university is part of the Coimbra Gr ...

(AU), 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 In quantum chemistry, electronic structure is the state of motion of electrons in an electrostatic field created by stationary nuclei. The term encompasses both the wave functions of the electrons and the energies associated with them. Electro ...

theory. He is also one of the main authors of the

DALTON Dalton may refer to: Science * Dalton (crater), a lunar crater * Dalton (program), chemistry software * Dalton (unit) (Da), the atomic mass unit * John Dalton, chemist, physicist and meteorologist Entertainment * Dalton (Buffyverse), minor cha ...

program and a member of the

International Academy of Quantum Molecular Science The International Academy of Quantum Molecular Science (IAQMS) is an international scientific learned society covering all applications of quantum theory to chemistry and chemical physics. It was created in Menton in 1967. The founding members wer ...

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 Multi-configurational self-consistent field (MCSCF) is a method in quantum chemistry used to generate qualitatively correct reference states of molecules in cases where Hartree–Fock and density functional theory are not adequate (e.g., for mole ...

) methods *Lagrangian techniques for molecular property calculations and analytic derivatives *time-independent and time-dependent linear and non-linear response function theory *

coupled cluster Coupled cluster (CC) is a numerical technique used for describing many-body systems. Its most common use is as one of several post-Hartree–Fock ab initio quantum chemistry methods in the field of computational chemistry, but it is also used in ...

perturbation theory *calculation of magnetic molecular properties using gauge invariant methods *showing and explaining the divergence of

Møller–Plesset perturbation theory Møller–Plesset perturbation theory (MP) is one of several quantum chemistry post–Hartree–Fock ab initio methods in the field of computational chemistry. It improves on the Hartree–Fock method by adding electron correlation effects by m ...

*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 *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 (3 co-authored and 1 edited), * * * * He had more than 19,000 citations and a h-index of 68 (according to ISI Web of Knowledge database). He has also organized the "Sostrup Summer School - Quantum Chemistry and Molecular Properties" alongside

Trygve Helgaker Trygve Helgaker (born August 11, 1953, in Porsgrunn, Norway) is professor of chemistry, Department of Chemistry, University of Oslo, Norway. He is a member of the International Academy of Quantum Molecular Science, 2005. He has written more than 2 ...

and Jeppe Olsen biannually since 1990.

Academic career

Jørgensen's career has been outlined in a Special Issue of Advances in Quantum Chemistry *1972–73 PostDoc with Professor Yngve Öhrn in Florida *1974 PostDoc with Professor Jack Simons in Utah *1974–75 PostDoc with Professor V. McKoy in Pasadena *1976 Associate Professor of Chemistry, Aarhus University *2001 Professor of Chemistry, Aarhus University *2010 Advanced Research Professor of Chemistry, Aarhus University

Directorships

*2004–07: Director of "Centre for Theoretical Chemistry", funded by the Danish Natural Science Research Council *2006–11: Director of "The Lundbeck Foundation Centre for Theoretical Chemistry" funded by the Lundbeck Foundation *2012–17: Director of "The qLEAP Centre for Theoretical Chemistry" funded by the European Research Council

Awards

*Appointed "Knight of the

Order of the Dannebrog The Order of the Dannebrog ( da, Dannebrogordenen) is a Danish order of chivalry instituted in 1671 by Christian V. Until 1808, membership in the order was limited to fifty members of noble or royal rank, who formed a single class known a ...

" by the Queen of Denmark in 2010 for his outstanding contributions to science. *Elected member of the International Academy of Quantum Molecular Science (2012). *Awards for extraordinary scientific accomplishment by the International Conference of Computation Methods in Science and Engineering (ICCMSE) (2006). *Honoured by Thomson Scientific and the Danish Library Association as the most cited author in chemistry in Denmark during the period 1990–2004. *Rigmor and Carl Holst-Knudsens Videnskabspris, Aarhus University (1986).

References

External links

His International Academy of Quantum Molecular Science page
* {{DEFAULTSORT:Jorgensen, Poul Living people 1944 births Danish chemists Theoretical chemists Knights of the Order of the Dannebrog Members of the International Academy of Quantum Molecular Science Academic staff of Aarhus University Computational chemists People from Silkeborg