Nicholas C. Handy
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Nicholas C. Handy (Born June 17, 1941 in Wiltshire - ) is a chemist.
[edit] Other Merits
- Professor of quantum chemistry, University of Cambridge, UK.
- Fellow of the Royal Society, London (1990).
- Author of 320 scientific papers published in journals of physical and theoretical chemistry.
- Member of the International Academy of Quantum Molecular Science.
[edit] Important Contributions
Development of methods in quantum chemistry and theoretical spectroscopy. Specific contributions to the understanding of :
- the transcorrelated method
- the long range behaviour of Hartree-Fock orbitals
- semiclassical methods for vibrational energies
- the variational method for rovibrational wave-functions (in normal and internal coordinates)
- Full configuration interaction with Slater determinants (benchmark studies)
- convergence of the Møller-Plesset series
- the reaction path Hamiltonian
- Anharmonic spectroscopic and thermodynamic properties using higher derivative methods
- Brueckner-doubles theory
- Open shell Møller-Plesset theory
- frequency-dependent properties
- Density functional theory : quadrature, new functionals and molecular properties.