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  • Nicholas C Handy FRS
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  • Nicholas C Handy FRS Publications (2004)


    The Molecular Physics Lecture 2004: (i) Density Functional Theory, (ii) Quantum Monte Carlo
    Handy NC
    MOL PHYS, 2004, 23-24, 2399-2409. DOI: 10.1080/00268970412331293848


    Scientific biography - Nicholas Charles Handy
    Handy NC
    MOL PHYS, 2004, 23-24, 2395-2397. DOI: 10.1080/00268970412331303750


    Improving numerical integration through basis set expansion
    McCormack DA, Baerends EJ, van Lenthe E, Handy NC
    THEOR CHEM ACC, 2004-12, 05-Jun, 410-418. DOI: 10.1007/s00214-004-0613-0


    The vibrations and tunnelling of malonaldehyde on a Moller-Plesset surface
    Tew DP, Handy NC, Carter S
    MOLECULAR PHYSICS, 2004, 21-22, 2217-2226. DOI: 10.1080/00268970410001734279


    Large vibrational variational calculations using 'multimode' and an iterative diagonalization technique
    Handy NC, Carter S
    MOLECULAR PHYSICS, 2004, 21-22, 2201-2205. DOI: 10.1080/00268970410001728870


    A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
    Yanai T, Tew DP, Handy NC
    CHEM PHYS LETT, 2004, 01-Mar, 51-57. DOI: 10.1016/j.cplett.2004.06.011


    The nodes of Hartree-Fock wavefunctions and their orbitals
    Hachmann J, Galek PTA, Yanai T, Chan GKL, Handy NC
    CHEM PHYS LETT, 2004, 01-Mar, 55-61. DOI: 10.1016/j.cplett.2004.04.070


    Rovibrational energy levels of hydrogen peroxide, studied by MULTIMODE with a reaction path Hamiltonian
    Carter S, Handy NC
    SPECTROCHIM ACTA A, 2004-07, 08-Sep, 2107-2111. DOI: 10.1016/j.saa.2003.11.016


    Are Hartree-Fock atoms too small or too large?
    Cohen AJ, Handy NC, Roos BO
    PHYS CHEM CHEM PHYS, 2004, 11, 2928-2931.


    Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets
    Watson MA, Handy NC, Cohen AJ, Helgaker T
    J CHEM PHYS, 2004, 16, 7252-7261. DOI: 10.1063/1.1668633


    Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets.
    Watson MA, Handy NC, Cohen AJ, Helgaker T
    J Chem Phys, 2004, 16, 7252-7261. DOI: 10.1063/1.1668633


    "Comment on: ""The renner effect in triatomic molecules with application to CH2+, MgNC and NH2"" by P. Jensen, T.E. Odaka, W.P. Kraemer, T. Hirano and P.R. Bunker (Spectrochimica Acta A58 763-794 (2002))"
    Carter S, Handy NC, Rosmus P
    SPECTROCHIM ACTA A, 2004-02, 3, 735-736. DOI: 10.1016/S1386-1425(03)00314-7


    Infrared intensities of furan, pyrrole and thiophene: beyond the double harmonic approximation
    Burcl R, Carter S, Handy NC
    PHYS CHEM CHEM PHYS, 2004, 2, 340-343. DOI: 10.1039/b310851a



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