Becke. Axel

Barbara Paul R, 951 Barlow William, e36 Barnwell John D., 886 Barysz Maria, 131 Bautista Debra L., 868 Bayes Thomas, 991 Becke Axel D., 703 Bednorz Georg J., 322 Bell Alexis T 361 Bell John S 3,14, 48 Belousov Boris... 

Professor Axel Becke of Queens University, Belfast has been very actively involved in developing and improving exchange-correlation energy functionals. For a good recent overview, see ... 

Brian A. Pettitt Univ. of Winnipeg Axel D. Becke Queen s Univ. 

In 1966 Neil Snider joined Queen s Department of Chemistry. He was followed by Douglas Hutchinson in 1964, Vedene Smith in 1967, and Hans Colpa in 1969 (see Table 2). Hutchinson left in 1984, while Colpa and Snider retired in 1991 and 1995, respectively. Meanwhile, Axel Becke and David Wardlaw arrived in 1984, Donald Weaver in 1989 and Natalie Cann in 1997. 

Returning to his alma mater, Queen s University, Axel Becke has made significant advances in two research areas of quantum chemistry the design of new computer algorithms174 for the computation of molecular energies and structures, and development of new density functional theories175 of the electronic structure of atoms, molecules, and condensed systems. 

A few personal reminiscences of the time when DFT was entering mainstream quantum chemistry are appropriate here. In March of 1992, while the first author of this review was actively working on coupled cluster theory, John Pople visited Rice University to deliver the Franklin Memorial Lecture. The subject of his talk was the impressive performance of the BLYP functional for thermochemistry, especially as judged by its low computational cost relative to the G2 theory. Pople was on his way to the Sanibel Symposium and gave the author a preprint of Ref. [296], which later became Pople s first publication on DFT (see also Ref. [297]). Pople credited the lecture by Axel Becke at the 7th International Congress of Quantum Chemistry in Menton in the Summer of 1991 as a turning point in his views on DFT. With the help of Peter Gill... 

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