Assessment of a Coulomb-attenuated exchange-correlation energy functional von PEACH, Michael J. G, HELGAKER, Trygve, SALEK, Paweł, KEAL, Thomas W, LUTNAES, Ola B, TOZER, David J, HANDY, Nicholas C

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A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) von Yanai, Takeshi, Tew, David P, Handy, Nicholas C

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Assessment of a new local exchange functional OPTX von Hoe, Wee-Meng, Cohen, Aron J., Handy, Nicholas C.

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Vibrational Levels of Methanol Calculated by the Reaction Path Version of MULTIMODE, Using an ab initio, Full-Dimensional Potential von Bowman, Joel M, Huang, Xinchuan, Handy, Nicholas C, Carter, Stuart

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A reaction surface Hamiltonian study of malonaldehyde von Tew, David P., Handy, Nicholas C., Carter, Stuart

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New exchange-correlation density functionals: The role of the kinetic-energy density von Boese, A. Daniel, Handy, Nicholas C.

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A new parametrization of exchange–correlation generalized gradient approximation functionals von Boese, A. Daniel, Handy, Nicholas C.

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Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities von Tozer, David J., Handy, Nicholas C.

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Study of excited states of furan and pyrrole by time-dependent density functional theory von Burcl, Rudolf, Amos, Roger D., Handy, Nicholas C.

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Potential Energy Surface and Vibrational−Rotational Energy Levels of Hydrogen Peroxide von Koput, Jacek, Carter, Stuart, Handy, Nicholas C

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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... von Helgaker, Trygve, Watson, Mark, Handy, Nicholas C.

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Development and assessment of new exchange-correlation functionals von Hamprecht, Fred A., Cohen, Aron J., Tozer, David J., Handy, Nicholas C.

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Extensions and tests of "multimode": a code to obtain accurate vibration/rotation energies of many-mode molecules von Carter, Stuart, Bowman, Joel M., Handy, Nicholas C.

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New generalized gradient approximation functionals von Boese, A. Daniel, Doltsinis, Nikos L., Handy, Nicholas C., Sprik, Michiel

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On the determination of excitation energies using density functional theory von TOZER, D. J, HANDY, N. C

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Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds? von Tozer, David J., Amos, Roger D., Handy, Nicholas C., Roos, Bjorn O., Serrano-ANDRES, Luis

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Fractional numbers of electrons in Kohn–Sham theory von TOZER, David J, HANDY, Nicholas C, COHEN, Aron J

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Kinetic energy functionals from the Kohn-Sham potential von KING, Rollin A, HANDY, Nicholas C

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Vibrational spectra of furan, pyrrole, and thiophene from a density functional theory anharmonic force field von Burcl, Rudolf, Handy, Nicholas C, Carter, Stuart

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On the representation of potential energy surfaces of polyatomic molecules in normal coordinates: II. Parameterisation of the force field von Burcl, Rudolf, Carter, Stuart, Handy, Nicholas C

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