Patrick Duffy

Assessment of Kohn-Sham density-functional orbitals as approximate Dyson orbitals for the calculation of electron-momentum-spectroscopy scattering cross sections

Patrick Duffy, Delano P. Chong, Mark E. Casida et al. · Physical Review A · 1994 · 266 citations

Natural Sciences, Chemistry, Physics +13

Comparison of local-density and Hartree–Fock calculations of molecular polarizabilities and hyperpolarizabilities

Jingang Guan, Patrick Duffy, Jonathan Carter et al. · The Journal of Chemical Physics · 1993 · 145 citations

Natural Sciences, Chemistry, Physics +17

Assessment of Gaussian-weighted angular resolution functions in the comparison of quantum-mechanically calculated electron momentum distributions with experiment

Patrick Duffy, Mark E. Cassida, C.E. Brion et al. · Chemical Physics · 1992 · 144 citations

Natural Sciences, Physics, Computational Chemistry +7

Kohn–Sham orbitals and orbital energies: fictitious constructs but good approximations all the same

Sébastien Hamel, Patrick Duffy, Mark E. Casida et al. · Journal of Electron Spectroscopy and Related Phenomena · 2002 · 130 citations

Natural Sciences, Chemistry, Physics +14

Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. Twelve test cases and application to three C2H4O2 isomers

Delano P. Chong, Ching‐Han Hu, Patrick Duffy · Chemical Physics Letters · 1996 · 51 citations

Natural Sciences, Chemistry, Computational Chemistry +13