David J Tozer

Dikutip oleh

	Semua	Sejak 2020
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Michael J G PeachLecturer in Chemistry, Lancaster UniversityEmail yang diverifikasi di lancaster.ac.uk
Trygve HelgakerUniversity of OsloEmail yang diverifikasi di kjemi.uio.no
Andrew M. Wibowo-TealeProfessor, University of NottinghamEmail yang diverifikasi di nottingham.ac.uk
Thomas KealPrincipal Scientist, STFC Daresbury LaboratoryEmail yang diverifikasi di stfc.ac.uk
Aron CohenMax Planck Institute for Solid State ResearchEmail yang diverifikasi di fkf.mpg.de
Roger AmosAustralian National UniversityEmail yang diverifikasi di anu.edu.au
Alex BorgooThe Centre for Theoretical and Computational Chemistry (CTCC)Email yang diverifikasi di kjemi.uio.no
David O'HaganUniversity of St AndrewsEmail yang diverifikasi di st-andrews.ac.uk
Todd B. MarderUniversität WürzburgEmail yang diverifikasi di uni-wuerzburg.de
Stewart ClarkProfessor of Physics, University of DurhamEmail yang diverifikasi di durham.ac.uk
Alexandra SlawinProfessor of Chemistry,University of St AndrewsEmail yang diverifikasi di st-and.ac.uk
Fred A. HamprechtProfessor, Heidelberg UniversityEmail yang diverifikasi di iwr.uni-heidelberg.de
Giuseppina MenconiAssociate ProfessorEmail yang diverifikasi di cesarritzcolleges.edu
Judith A K HowardDurham UniversityEmail yang diverifikasi di durham.ac.uk
Jürgen GaussProfessor of theoretical chemistry, Johannes Gutenberg-Universität MainzEmail yang diverifikasi di uni-mainz.de
Kenneth RuudHylleraas Centre for Quantum Molecular Sciences, University of Tromsø-The Arctic University ofEmail yang diverifikasi di uit.no
Mark A FoxUniversity of DurhamEmail yang diverifikasi di durham.ac.uk
Lars-Olof PålssonDurham UniversityEmail yang diverifikasi di durham.ac.uk
Andreas SteffenTU DortmundEmail yang diverifikasi di tu-dortmund.de
Michael DeleuzeHasselt universityEmail yang diverifikasi di skynet.be

Ikuti

David J Tozer

Department of Chemistry, Durham University

Email yang diverifikasi di durham.ac.uk - Beranda

Theoretical Chemistry Density Functional Theory


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
Development and assessment of new exchange-correlation functionals FA Hamprecht, AJ Cohen, DJ Tozer, NC Handy The Journal of chemical physics 109 (15), 6264-6271, 1998	1783	1998
Excitation energies in density functional theory: An evaluation and a diagnostic test MJG Peach, P Benfield, T Helgaker, DJ Tozer The Journal of chemical physics 128 (4), 2008	1497	2008
Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities DJ Tozer, NC Handy The Journal of chemical physics 109 (23), 10180-10189, 1998	1066	1998
Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds? DJ Tozer, RD Amos, NC Handy, BO Roos, L Serrano-Andres Molecular physics 97 (7), 859-868, 1999	684	1999
Relationship between long-range charge-transfer excitation energy error and integer discontinuity in Kohn–Sham theory DJ Tozer The Journal of chemical physics 119 (24), 12697-12699, 2003	663	2003
Hybrid exchange-correlation functional determined from thermochemical data and ab initio potentials PJ Wilson, TJ Bradley, DJ Tozer The Journal of Chemical Physics 115 (20), 9233-9242, 2001	640	2001
Assessment of a Coulomb-attenuated exchange–correlation energy functional MJG Peach, T Helgaker, P Sałek, TW Keal, OB Lutnæs, DJ Tozer, ... Physical Chemistry Chemical Physics 8 (5), 558-562, 2006	529	2006
Influence of triplet instabilities in TDDFT MJG Peach, MJ Williamson, DJ Tozer Journal of chemical theory and computation 7 (11), 3578-3585, 2011	395	2011
Experimental and theoretical studies of the photophysical properties of 2-and 2, 7-functionalized pyrene derivatives AG Crawford, AD Dwyer, Z Liu, A Steffen, A Beeby, LO Palsson, DJ Tozer, ... Journal of the American Chemical Society 133 (34), 13349-13362, 2011	358	2011
The exchange-correlation potential in Kohn–Sham nuclear magnetic resonance shielding calculations TW Keal, DJ Tozer The Journal of chemical physics 119 (6), 3015-3024, 2003	332	2003
On the determination of excitation energies using density functional theory DJ Tozer, NC Handy Physical Chemistry Chemical Physics 2 (10), 2117-2121, 2000	283	2000
A semiempirical generalized gradient approximation exchange-correlation functional TW Keal, DJ Tozer The Journal of chemical physics 121 (12), 5654-5660, 2004	279	2004
Overcoming low orbital overlap and triplet instability problems in TDDFT MJG Peach, DJ Tozer The Journal of Physical Chemistry A 116 (39), 9783-9789, 2012	248	2012
Computation of the hardness and the problem of negative electron affinities in density functional theory DJ Tozer, F De Proft The Journal of Physical Chemistry A 109 (39), 8923-8929, 2005	227	2005
Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals NA Besley, MJG Peach, DJ Tozer Physical Chemistry Chemical Physics 11 (44), 10350-10358, 2009	220	2009
Excited state surfaces in density functional theory: A new twist on an old problem P Wiggins, JA Williams, DJ Tozer The Journal of chemical physics 131 (9), 2009	215	2009
Helium dimer dispersion forces and correlation potentials in density functional theory MJ Allen, DJ Tozer The Journal of chemical physics 117 (24), 11113-11120, 2002	209	2002
Benchmarking density-functional theory calculations of NMR shielding constants and spin–rotation constants using accurate coupled-cluster calculations AM Teale, OB Lutnæs, T Helgaker, DJ Tozer, J Gauss The Journal of Chemical Physics 138 (2), 2013	191	2013
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical chemistry chemical physics 24 (47), 28700-28781, 2022	190	2022
Semiempirical hybrid functional with improved performance in an extensive chemical assessment TW Keal, DJ Tozer The Journal of chemical physics 123 (12), 2005	186	2005

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