Researcher profile · Semantic Scholar

N. Handy

h-index: 85
Works: 421
Citations: 43K

Most-cited papers

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
Takeshi Yanai, D. Tew, N. Handy
200413K citations
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Left-right correlation energy
N. Handy, Aron J. Cohen
20011,351 citations
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A new parametrization of exchange–correlation generalized gradient approximation functionals
A. Boese, N. Handy
2001621 citations
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New exchange-correlation density functionals: The role of the kinetic-energy density
A. Boese, N. Handy
2002459 citations
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Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds
D. Tozer, R. Amos, N. Handy, B. Roos +1 more
1999449 citations
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Assessment of a Coulomb-attenuated exchange-correlation energy functional.
Michael J. G. Peach, T. Helgaker, P. Salek, Thomas W. Keal +3 more
2006Physical Chemistry, Chemical Physics - PCCP413 citations
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Assessment of a new local exchange functional OPTX
Wee-Meng Hoe, Aron J. Cohen, N. Handy
2001400 citations
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New generalized gradient approximation functionals
A. Boese, N. Doltsinis, N. Handy, M. Sprik
2000298 citations
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Analytical calculation of nuclear magnetic resonance indirect spin–spin coupling constants at the generalized gradient approximation and hybrid levels of density-functional theory
T. Helgaker, M. Watson, N. Handy
2000288 citations Open access
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On the determination of excitation energies using density functional theory
D. Tozer, N. Handy
2000219 citations
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Predicting the binding energies of H-bonded complexes: A comparative DFT study
Christian Tuma, A. Boese, N. Handy
1999190 citations
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The role of the basis set: Assessing density functional theory
A. Boese, Jan M. L. Martin, N. Handy
2003181 citations Open access
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Dynamic correlation
Aron J. Cohen, N. Handy
2001168 citations
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Multiresolution quantum chemistry in multiwavelet bases: time-dependent density functional theory with asymptotically corrected potentials in local density and generalized gradient approximations
Takeshi Yanai, R. Harrison, N. Handy
2005115 citations Open access
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Experimental and theoretical anharmonicity for benzene using density functional theory
Andrea Miani, E. Cané, P. Palmieri, A. Trombetti +1 more
2000115 citations
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Nuclear shielding constants by density functional theory with gauge including atomic orbitals
T. Helgaker, P. Wilson, R. Amos, N. Handy
200085 citations
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Assessment of exchange correlation functionals
Aron J. Cohen, N. Handy
200081 citations
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Density functional calculations, using Slater basis sets, with exact exchange
M. Watson, N. Handy, Aron J. Cohen
200380 citations
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Vibrational spectra of furan, pyrrole, and thiophene from a density functional theory anharmonic force field.
R. Burcl, N. Handy, S. Carter
2003Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy79 citations
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Ab initio prediction of the vibrational-rotational energy levels of hydrogen peroxide and its isotopomers
J. Koput, S. Carter, N. Handy
200179 citations
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The vibrations of H2O2, studied by “multimode,” with a large amplitude motion
S. Carter, N. Handy
200074 citations
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Evaluation of in density functional theory.
Aron J. Cohen, D. Tozer, N. Handy
2007Journal of Chemical Physics70 citations
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Study of excited states of furan and pyrrole by time-dependent density functional theory
R. Burcl, R. Amos, N. Handy
200269 citations
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Thomas–Fermi–Dirac–von Weizsäcker models in finite systems
G. Chan, Aron J. Cohen, N. Handy
200168 citations Open access
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Vibrational levels of methanol calculated by the reaction path version of MULTIMODE, using an ab initio, full-dimensional potential.
J. Bowman, Xin-Chuan Huang, N. Handy, S. Carter
2007Journal of Physical Chemistry A66 citations
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A variational method for the calculation of spin-rovibronic energy levels of triatomic molecules with three interacting electronic states
S. Carter, N. Handy, C. Puzzarini, Riccardo Tarroni +1 more
200063 citations
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Toward coupled-cluster accuracy in the prediction of nuclear shielding constants: a simple and efficient DFT approach
P. Wilson, R. Amos, N. Handy
199960 citations
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A reaction surface Hamiltonian study of malonaldehyde.
D. Tew, N. Handy, S. Carter
2006Journal of Chemical Physics59 citations Open access
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The vibrational levels of ammonia.
Céline Léonard, N. Handy, S. Carter, J. Bowman
2002Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy58 citations
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A dynamical correlation functional
N. Handy, Aron J. Cohen
200254 citations
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On the resolution of identity Coulomb energy approximation in density functional theory
Chris-Kriton Skylaris, L. Gagliardi, N. Handy, A. G. Ioannou +2 more
200053 citations Open access
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On the representation of potential energy surfaces of polyatomic molecules in normal coordinates: II. Parameterisation of the force field
R. Burcl, S. Carter, N. Handy
200352 citations
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Density functional predictions for magnetizabilities and nuclear shielding constants
P. Wilson, R. Amos, N. Handy
199952 citations
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On the representation of potential energy surfaces of polyatomic molecules in normal coordinates
S. Carter, N. Handy
200251 citations
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The internal coordinate path Hamiltonian; application to methanol and malonaldehyde
D. Tew, N. Handy, S. Carter, S. Irle +1 more
200347 citations
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The transcorrelated method for accurate correlation energies using gaussian-type functions: examples on He, H2, LiH and H2O
N. Handy
200243 citations
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Potential energy curves for PO, calculated using DFT and MRCI methodology
A. Spielfiedel, N. Handy
199943 citations
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Density functional calculations of the hyperpolarisabilities of small molecules
Aron J. Cohen, N. Handy, D. Tozer
199941 citations
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The barrier to inversion of ammonia
Céline Léonard, S. Carter, N. Handy
200337 citations
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The molecular physics lecture 2004: (i) Density functional theory, (ii) Quantum Monte Carlo
N. Handy
200436 citations
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POTENTIAL ENERGY FUNCTION AND VIBRATIONAL STATES OF THE ELECTRONIC GROUND STATE OF N4
Céline Léonard, P. Rosmus, S. Carter, N. Handy
199936 citations
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The importance of the asymptotic exchange-correlation potential in density functional theory
D. Tozer, N. Handy
200334 citations
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Kinetic energy functionals from the Kohn–Sham potential
R. A. King, N. Handy
200034 citations
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An extensive study of gradient approximations to the exchange-correlation and kinetic energy functionals
G. Chan, N. Handy
200033 citations
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Multimode calculations of rovibrational energies of C2H4 and C2D4
S. Carter, J. Bowman, N. Handy
201232 citations
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The vibrations and tunnelling of malonaldehyde on a Møller–Plesset surface
D. Tew, N. Handy, S. Carter
200429 citations
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Infrared intensities from the Multimode code
R. Burcl, S. Carter, N. Handy
200329 citations
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Density functional predictions for metal and ligand nuclear shielding constants in diamagnetic closed-shell first-row transition-metal complexes
P. Wilson, R. Amos, N. Handy
200028 citations
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Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets.
M. Watson, N. Handy, Aron J. Cohen, T. Helgaker
2004Journal of Chemical Physics27 citations
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Rydberg states of propyne at 6.8–10.5 eV studied by two-photon resonant ionization spectroscopy and theoretical calculation
Jau-Chin Shieh, Jiang Chang, Jen-Chieh Wu, Run-Hua Li +3 more
200026 citations
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A. Boese

×5

D. Tew×4

T. Helgaker×4

P. Wilson×4

R. Burcl×4

J. Bowman×4

M. Watson×3

Céline Léonard×3