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The Journal of Chemical Physics|November 30, 2006
Density functional theory investigation of the polarizability and second hyperpolarizability of polydiacetylene and polybutatriene chains: treatment of exact exchange and role of correlationBenoît Champagne, Felipe A Bulat, Weitao Yang, et al.
The Journal of Chemical Physics|July 26, 2006
Simulation of photoelectron spectra with anharmonicity fully included: Application to the X 2A2<--X 1A1 band of furanSean Bonness, Bernard Kirtman, Miquel Huix, et al.
The Journal of Chemical Physics|March 26, 2008
Calculation of electric dipole (hyper)polarizabilities by long-range-correction scheme in density functional theory: a systematic assessment for polydiacetylene and polybutatriene oligomersBernard Kirtman, Sean Bonness, Alejandro Ramirez-Solis, et al.
The Journal of Chemical Physics|March 10, 2010
Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systemsRyohei Kishi, Sean Bonness, Kyohei Yoneda, et al.
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