Evert Jan Baerends

Evert Jan Baerends (born September 17, 1945 in Voorst ) is a Dutch theoretical chemist ( quantum chemistry ).

Life

He received his doctorate in 1975 from the Vrije Universiteit Amsterdam (Free University of Amsterdam) under Pieter Ros , where he later became a professor of theoretical chemistry.

He is known for contributions to density functional theory (DFT), particularly the development of the Amsterdam Density Functional (ADF). The software package was developed by the Baerends group and by Tom Ziegler in Canada from the 1970s, and from 1995 by the spin-off of the Baerends group Scientific Computing & Modeling (SCM). Starting in 2010, it was also expanded beyond DFT.

He also dealt with relativistic effects in DFT, chemisorption, the general nature of chemical bonding (the relative role of kinetic energy and Pauli principle in binding metal ligands and molecules to surfaces), problems in organometallic chemistry (such as charge transfer and ligand field excitation in organometallic photochemistry), response functions of molecules with time-dependent DFT.

In 2010 he received the Schrödinger Medal . He is a member of the International Academy of Quantum Molecular Science and the Royal Netherlands Academy of Sciences (2004).

After his retirement he taught at the Pohang University of Science and Technology in South Korea.

Fonts

with G. Te Velde, F. Matthias Bickelhaupt, C. Fonseca Guerra, Stan JA van Gisbergen, Jaap G. Snijders, Tom Ziegler: Chemistry with ADF, Journal of Computational Chemistry, Volume 22, 2001, pp. 931-967 (Die Work is a citation classic)
with DE Ellis, P. Ros: Self-consistent molecular Hartree — Fock — Slater calculations I. The computational procedure, Chemical Physics, Volume 2, 1973, pp. 41-51
with CF Guerra, JG Snijders, G. te Velde: Towards an order-N DFT method, Theoretical Chemistry Accounts, Volume 99, 1998, pp 391-403
with E. Lenthe, SG Snijders: Relativistic regular two-component Hamiltonians, Journal of Chemical Physics, Volume 99, 1993, pp. 4597-4610
with G. Te Velde: Numerical integration for polyatomic systems, Journal of Computational Physics, Volume 99, 1981, pp. 84-98
with E. van Lenthe, JG Snijders: Relativistic total energy using regular approximations, Journal of Chemical Physics, Volume 101, 1994, pp. 9783-9792
with E. van Lenthe, A. Ehlers: Geometry optimizations in the zero order regular approximation for relativistic effects, Journal of Chemical Physics, Volume 110, 1999, pp. 8943-8953
with E. van Lenthe, JG Snijders: The zero-order regular approximation for relativistic effects: The effect of spin-orbit coupling in closed shell molecules, J. of Chemical Physics, Volume 106, 1996, pp. 6505-6516
with R. Van Leeuwen: Exchange-correlation potential with correct asymptotic behavior, Physical Review A, Volume 49, 1994, p. 2421
with FM Bickelhaupt: Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry, Reviews in Computational Chemistry, Volume 15, 2007, pp. 1-86

Web links

Website at the IAQMS

Individual evidence

^ Biographical data, publications and academic family tree of Evert Jan Baerends at academictree.org, accessed on January 6, 2018.

personal data
SURNAME	Baerends, Evert Jan
BRIEF DESCRIPTION	Dutch theoretical chemist (quantum chemistry)
DATE OF BIRTH	September 17, 1945
PLACE OF BIRTH	Voorst

[1] Biographical data, publications and academic family tree of Evert Jan Baerends at academictree.org, accessed on January 6, 2018.