CHBC Faculty Publications

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TitleUA AuthorPublication NameYear
Accurate correlated calculation of the intermolecular potential surface in the coronene dimerPulay, PeterMolecular Physics2010
Theoretical predictions of enforced structural changes in moleculesBaker, JonMolecular Physics2009
A potential surface for the interaction between water and coronene as a model for a hydrophobic surfacePulay, PeterMolecular Physics2009
Parallel implementation of Hartree-Fock and density functional theory analytical second derivativesBaker, JonMolecular Physics2004
Parallel implementation of Hartree-Fock and density functional theory analytical second derivativesPulay, PeterMolecular Physics2004
The size consistency of multi-reference Moller-Plesset perturbation theoryPulay, PeterMolecular Physics1998
Convergence and Efficiency of the Valence Bond Self-Consistent Field MethodPulay, PeterMolecular Physics1991
Theoretical Equilibrium Geometry, Vibrational Frequencies and the 1st-Electronic Transition Energy of HccPulay, PeterMolecular Physics1983