David J Tozer

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22 makale

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Finansman sağlayan kuruluşun getirdiği zorunluluğa dayalı olarak

Katkıda bulunan yazarlar

Michael J G PeachLecturer in Chemistry, Lancaster Universitylancaster.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Trygve HelgakerUniversity of Oslokjemi.uio.no üzerinde doğrulanmış e-posta adresine sahip
Andrew M. Wibowo-TealeProfessor, University of Nottinghamnottingham.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Thomas KealPrincipal Scientist, STFC Daresbury Laboratorystfc.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Aron CohenMax Planck Institute for Solid State Researchfkf.mpg.de üzerinde doğrulanmış e-posta adresine sahip
Roger AmosAustralian National Universityanu.edu.au üzerinde doğrulanmış e-posta adresine sahip
David O'HaganUniversity of St Andrewsst-andrews.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Alex BorgooThe Centre for Theoretical and Computational Chemistry (CTCC)kjemi.uio.no üzerinde doğrulanmış e-posta adresine sahip
Todd B. MarderUniversität Würzburguni-wuerzburg.de üzerinde doğrulanmış e-posta adresine sahip
Stewart ClarkProfessor of Physics, University of Durhamdurham.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Alexandra SlawinProfessor of Chemistry,University of St Andrewsst-and.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Fred A. HamprechtProfessor, Heidelberg Universityiwr.uni-heidelberg.de üzerinde doğrulanmış e-posta adresine sahip
Giuseppina MenconiAssociate Professorcesarritzcolleges.edu üzerinde doğrulanmış e-posta adresine sahip
Judith A K HowardDurham Universitydurham.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Jürgen GaussProfessor of theoretical chemistry, Johannes Gutenberg-Universität Mainzuni-mainz.de üzerinde doğrulanmış e-posta adresine sahip
Kenneth RuudHylleraas Centre for Quantum Molecular Sciences, University of Tromsø-The Arctic University ofuit.no üzerinde doğrulanmış e-posta adresine sahip
Mark A FoxUniversity of Durhamdurham.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Lars-Olof PålssonDurham Universitydurham.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Andreas SteffenTU Dortmundtu-dortmund.de üzerinde doğrulanmış e-posta adresine sahip
Michael DeleuzeHasselt universityskynet.be üzerinde doğrulanmış e-posta adresine sahip

Takip et

David J Tozer

Department of Chemistry, Durham University

durham.ac.uk üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa

Theoretical Chemistry Density Functional Theory


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
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	1781	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	1492	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	1064	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	683	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	662	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	637	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	392	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	354	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	330	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	278	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	246	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	219	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	213	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	188	2022
Semiempirical hybrid functional with improved performance in an extensive chemical assessment TW Keal, DJ Tozer The Journal of chemical physics 123 (12), 2005	184	2005

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