Nicholas C. Handy

375 scientific papers published in journals of physical and theoretical chemistry.

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 wavefunctions (in normal and internal coordinates); Full Configuration Interaction with 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 (HCTH, OPTX) and molecular properties.