Fractional Electron Loss in Approximate DFT and Hartree–Fock Theory

Peach, Michael J.G.; Teale, Andrew M.; Helgaker, Trygve; Tozer, David J.

doi:10.1021/acs.jctc.5b00804

Fractional Electron Loss in Approximate DFT and Hartree–Fock Theory

Peach, Michael J.G.; Teale, Andrew M.; Helgaker, Trygve; Tozer, David J.

Authors

Michael J.G. Peach

Professor ANDREW TEALE Andrew.Teale@nottingham.ac.uk
PROFESSOR OF COMPUTATIONAL AND THEORETICAL CHEMISTRY

Trygve Helgaker

David J. Tozer

Citation

Peach, M. J., Teale, A. M., Helgaker, T., & Tozer, D. J. (2015). Fractional Electron Loss in Approximate DFT and Hartree–Fock Theory. Journal of Chemical Theory and Computation, 11(11), 5262-5268. https://doi.org/10.1021/acs.jctc.5b00804

Journal Article Type	Article
Acceptance Date	Aug 21, 2015
Online Publication Date	Oct 8, 2015
Publication Date	Oct 2, 2015
Deposit Date	Dec 16, 2015
Publicly Available Date	Dec 16, 2015
Journal	Journal of Chemical Theory and Computation
Print ISSN	1549-9618
Electronic ISSN	1549-9626
Publisher	American Chemical Society
Peer Reviewed	Peer Reviewed
Volume	11
Issue	11
Pages	5262-5268
DOI	https://doi.org/10.1021/acs.jctc.5b00804
Public URL	https://nottingham-repository.worktribe.com/output/764757
Publisher URL	http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00804