CHBC Faculty Publications

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TitleUA AuthorPublication NameYear
Breaking established paradigms: a tribute to Wilfried Meyer's contributions to ab initio quantum chemistryPulay, PeterMolecular Physics2020
Accurate correlated calculation of the intermolecular potential surface in the coronene dimerFord, Alan RayMolecular Physics2010
Accurate correlated calculation of the intermolecular potential surface in the coronene dimerJanowski, TomaszMolecular Physics2010
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 surfaceHuff, Estelle M.Molecular 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