Research Interests
Research Group
Tozer Biography
Benchmark Repository
External Links
Durham Photos
Travelling to Durham


Professor David J Tozer
Department of Chemistry
Durham University
South Road

Tel. +44 191 334 2111
Fax +44 191 384 4737

Welcome to the website of the Tozer research group. The central aim of our work is to improve the quality of density functional theory calculations in areas where the method is deficient and to apply the method to a range of important chemical problems. The site contains full details of our research interests and research group, together with links to all publications, details of talks, a benchmark assessment repository, and links to external sites and teaching materials. It also contains photographs of the historic City of Durham.


Fractional electron loss in approximate DFT and Hartree-Fock theory
M. J. G. Peach, A. M. Teale, T. Helgaker, and D. J. Tozer, JCTC 11 5262 (2015)

Nicholas Charles Handy, 17 June 1941 - 2 October 2012
D. C. Clary, P. J. Knowles, and D. J. Tozer, Biogr. Mems Fell. R. Soc. 61 145 (2015)

T. Helgaker, P. J. Knowles, T. J. Lee, J. E. Rice, and D. J. Tozer, Mol. Phys. 113 1509 (2015)

System-dependent exchange-correlation functional with exact asymptotic potential and HOMO approx -I
J. D. Gledhill and D. J. Tozer, JCP 143 024104 (2015)

Molecular properties in the Tamm-Dancoff approximation: indirect nuclear spin-spin coupling constants
C. Y. Cheng, M. S. Ryley, M. J. G. Peach, D. J. Tozer, T. Helgaker, and A. M. Teale, Mol. Phys. 113 1937 (2015)

Molecular binding in post-Kohn-Sham orbital-free DFT
A. Borgoo, J. A. Green, and D. J. Tozer, JCTC 10 5338 (2014)

Revisiting the density scaling of the non-interacting kinetic energy
A. Borgoo, A. M. Teale, and D. J. Tozer, PCCP 16 14578 (2014)

Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach
A. M. Teale, F. De Proft, P. Geerlings, and D. J. Tozer, PCCP 16 14420 (2014)

Density functional theory and its applications
D. J. Tozer and M. J. G. Peach, PCCP 16 14333 (2014)

Assessment of tuning methods for enforcing approximate energy linearity in range-separated hybrid functionals
J. D. Gledhill, M. J. G. Peach, and D. J. Tozer, JCTC 9 4414 (2013)

On the triplet instability in TDDFT
M. J. G. Peach, N. Warner, and D. J. Tozer, Mol. Phys. 111 1271 (2013)