David J. Tozer

发表

Excitation energies of benzene from Kohn-Sham theory

Nicholas C. Handy, David J. Tozer, N. Handy, 1999, J. Comput. Chem..

EARLY LIFE AND CAREER

Peter J. Knowles, David J. Tozer, David C. Clary, 2000, Beria.

Improved NMR chemical shifts in density functional theory

David J. Tozer, Thomas W. Keal, T. Keal, 2003 .

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

David J. Tozer, Philip J. Wilson, D. Tozer, 2001 .

THE DEVELOPMENT OF NEW EXCHANGE-CORRELATION FUNCTIONALS : 3

Nicholas C. Handy, David J. Tozer, 1998 .

Correlation potentials and functionals in Hartree-Fock-Kohn-Sham theory

Nicholas C. Handy, David J. Tozer, G. Chan, 1997 .

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

David J. Tozer, D. Tozer, Mark J. Allen, 2002 .

GIAO shielding constants and indirect spin–spin coupling constants: performance of density functional methods

Trygve Helgaker, David J. Tozer, Thomas W. Keal, 2004 .

Varying the fraction of orbital exchange in density functional theory: Influence on nuclear magnetic resonance shielding constants

David J. Tozer, Philip J. Wilson, 2002 .

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

David J. Tozer, Thomas W. Keal, T. Keal, 2003 .

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

Nicholas C. Handy, David J. Tozer, N. Handy, 1998 .

Exchange‐correlation potentials

Nicholas C. Handy, David J. Tozer, N. Handy, 1996 .

Development of New Exchange-Correlation Functionals. 2

Nicholas C. Handy, David J. Tozer, N. Handy, 1998 .

Development and assessment of new exchange-correlation functionals

Fred A. Hamprecht, Nicholas C. Handy, David J. Tozer, 1998 .

Exchange-correlation functionals from ab initio electron densities

William H. Green, Nicholas C. Handy, David J. Tozer, 1997 .

Density functional calculations of the hyperpolarisabilities of small molecules

Nicholas C. Handy, David J. Tozer, N. Handy, 1999 .

Analytic Second Derivatives of the Potential Energy Surface

Nicholas C. Handy, David J. Tozer, Roger D. Amos, 1993 .

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

David J. Tozer, D. Tozer, 2003 .

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

Luis Serrano-Andrés, Björn O. Roos, Nicholas C. Handy, 1999 .

The development of new exchange-correlation functionals

Nicholas C. Handy, David J. Tozer, N. Handy, 1998 .

On the determination of excitation energies using density functional theory

Nicholas C. Handy, David J. Tozer, N. Handy, 2000 .