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Chemistry

D-Index
58
Citations
16213
World Ranking
10467
National Ranking
595

Research.com Recognitions

  • 2008 - Corday–Morgan Prize, Royal Society of Chemistry (UK)

Overview

David J. Tozer is affiliated with Durham University in the United Kingdom. Their research spans several fields with strong emphasis on physics and chemistry, particularly within atomic and molecular physics and materials chemistry.

The primary fields of study for their body of work include:

  • Physics and Astronomy
  • Chemistry

The subfields of study that characterize their research portfolio are:

  • Atomic and Molecular Physics, and Optics
  • Materials Chemistry
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Catalysis

The main research topics explored by David J. Tozer involve:

  • Advanced Chemical Physics Studies
  • Spectroscopy and Quantum Chemical Studies
  • Photochemistry and Electron Transfer Studies
  • Machine Learning in Materials Science
  • Catalysis and Oxidation Reactions
  • Luminescence and Fluorescent Materials
  • Boron Compounds in Chemistry

Their publication record includes papers that appeared in frequent venues such as:

  • The Journal of Chemical Physics
  • Journal of Chemical Theory and Computation
  • Physical Chemistry Chemical Physics
  • Chemical Science
  • The Journal of Physical Chemistry A

Some recent papers authored or co-authored by David J. Tozer include:

  • "DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science" (2022), Physical Chemistry Chemical Physics
  • "Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2'-yl)-o-carborane" (2022), Chemical Science
  • "Low energy electron impact resonances of anthracene probed by 2D photoelectron imaging of its radical anion" (2020), The Journal of Chemical Physics
  • "On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2)" (2023), The Journal of Chemical Physics
  • "On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional Theory" (2024), The Journal of Physical Chemistry A

Frequent co-authors in collaborative research include:

  • Basile F. E. Curchod
  • Andrew M. Teale
  • Trygve Helgaker
  • Jack T. Taylor
  • Andreas Savin

David J. Tozer received the Corday-Morgan Prize from the Royal Society of Chemistry (UK) in 2008, recognizing contributions within their scientific fields.

Best Publications

  • Development and assessment of new exchange-correlation functionals

    Fred A. Hamprecht;Aron J. Cohen;David J. Tozer;Nicholas C. Handy

  • Excitation energies in density functional theory : an evaluation and a diagnostic test.

    Michael J. G. Peach;Peter Benfield;Trygve Helgaker;David J. Tozer

  • Improving virtual Kohn-Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities

    David J. Tozer;Nicholas C. Handy

  • Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds

    David J. Tozer;Roger D. Amos;Nicholas C. Handy;Bjorn O. Roos

  • Relationship between long-range charge-transfer excitation energy error and integer discontinuity in Kohn–Sham theory

    David J. Tozer

  • Hybrid exchange-correlation functional determined from thermochemical data and ab initio potentials

    Philip J. Wilson;Thomas J. Bradley;David J. Tozer

  • Assessment of a Coulomb-attenuated exchange-correlation energy functional.

    Michael J. G. Peach;Trygve Helgaker;Paweł Sałek;Thomas W. Keal

  • Influence of Triplet Instabilities in TDDFT.

    Michael J. G. Peach;Matthew J. Williamson;David J. Tozer

  • Experimental and Theoretical Studies of the Photophysical Properties of 2- and 2,7-Functionalized Pyrene Derivatives

    Andrew G. Crawford;Austin D. Dwyer;Zhiqiang Liu;Zhiqiang Liu;Andreas Steffen

  • The exchange-correlation potential in Kohn–Sham nuclear magnetic resonance shielding calculations

    Thomas W. Keal;David J. Tozer

  • On the determination of excitation energies using density functional theory

    David J. Tozer;Nicholas C. Handy

  • A semiempirical generalized gradient approximation exchange-correlation functional.

    Thomas W. Keal;David J. Tozer

  • Overcoming Low Orbital Overlap and Triplet Instability Problems in TDDFT

    Michael J. G. Peach;David J. Tozer

  • Computation of the hardness and the problem of negative electron affinities in density functional theory.

    David J Tozer;Frank De Proft

  • Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals

    Nicholas A. Besley;Michael J. G. Peach;David J. Tozer

  • Excited state surfaces in density functional theory: a new twist on an old problem.

    Paul Wiggins;J. A. Gareth Williams;David J. Tozer

  • Helium dimer dispersion forces and correlation potentials in density functional theory.

    Mark J. Allen;David J. Tozer

  • Semiempirical hybrid functional with improved performance in an extensive chemical assessment.

    Thomas W. Keal;David J. Tozer

  • Correlation of optical and NMR spectral information with coordination variation for axially symmetric macrocyclic Eu(III) and Yb(III) complexes: axial donor polarisability determines ligand field and cation donor preference

    Rachel S. Dickins;David Parker;James I. Bruce;David J. Tozer

  • Exchange-correlation potentials

    David J. Tozer;Victoria E. Ingamells;Nicholas C. Handy

  • The development of new exchange-correlation functionals

    David J. Tozer;Nicholas C. Handy

Frequent Co-Authors

Nicholas C. Handy
Nicholas C. Handy University of Cambridge
Frank De Proft
Frank De Proft Vrije Universiteit Brussel
Trygve Helgaker
Trygve Helgaker University of Oslo
Paul Geerlings
Paul Geerlings Vrije Universiteit Brussel
Roger D. Amos
Roger D. Amos Australian National University
David O'Hagan
David O'Hagan University of St Andrews
Alexandra M. Z. Slawin
Alexandra M. Z. Slawin University of St Andrews
Stewart J. Clark
Stewart J. Clark Durham University
Judith A. K. Howard
Judith A. K. Howard Durham University
Kenneth Ruud
Kenneth Ruud University of Tromsø - The Arctic University of Norway

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