Tom Ziegler

Tom Ziegler , (born September 3, 1945 in Copenhagen ; † March 24, 2015 ) was a Danish-Canadian theoretical chemist ( quantum chemistry ).

Ziegler studied at the University of Copenhagen, where he received his doctorate in theoretical chemistry in 1972. He also received his PhD from the University of Calgary in 1978. From 1986 he was Professor of Theoretical Chemistry at the University of Calgary , from 1993 with a full professorship. From 1996 to 1999 he was a Killam Professor and from 2001 he was a Canada Research Chair.

He is known for contributions to density functional theory (DFT), in particular the development of the Amsterdam Density Functional (ADF) with Evert Jan Baerends . He applied this especially to excited states and in organometallic chemistry (chemistry of transition metal complexes, catalysis). It has been known for its treatment of the olefin - polymerization with homogeneous catalysis , but he treated other processes of industrial chemistry as functionalization of hydrocarbons. He thus proved the practical applicability of DFT. He also dealt with theoretical spectroscopy.

At DFT, he developed methods for calculating energy gradients in geometric optimization and treated relativistic effects, for example, when calculating chemical shifts for NMR.

In 2004 he received the Schrödinger Medal . He was a member of the International Academy of Quantum Molecular Science and the Royal Danish Academy of Sciences and a Fellow of the Royal Society of Canada .

He died in 2015 when he was a Humboldt Research Award winner at the University of Bonn (Mulliken Center). He has been a regular at the Mulliken Center since 2012.

Fonts

with G. Te Velde, F. Matthias Bickelhaupt, C. Fonseca Guerra, Stan JA van Gisbergen, Jaap G. Snijders, Jan Evert Baerends: Chemistry with ADF, Journal of Computational Chemistry, Volume 22, 2001, pp. 931–967 ( The work is a Citation Classic)

Web links

personal data
SURNAME	Ziegler, Tom
BRIEF DESCRIPTION	Danish-Canadian theoretical chemist (quantum chemistry)
DATE OF BIRTH	September 3, 1945
PLACE OF BIRTH	Copenhagen
DATE OF DEATH	March 24, 2015