Sean Bonness

Calculation of electric dipole (hyper)polarizabilities by long-range-correction scheme in density functional theory: A systematic assessment for polydiacetylene and polybutatriene oligomers

Bernard Kirtman, Sean Bonness, Benoı̂t Champagne et al. · The Journal of Chemical Physics · 2008 · 118 citations

Organic Charge-transfer Compound, Excited State Property, Molecular Hydrogen Oligomers +14

Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems

Ryohei Kishi, Sean Bonness, Kyohei Yoneda et al. · The Journal of Chemical Physics · 2010 · 94 citations

Spectral Theory, Engineering, Diradical Character Dependence +18

Theoretical study on third-order nonlinear optical properties in hexagonal graphene nanoflakes: Edge shape effect

Hiroshi Nagai, Masayoshi Nakano, Kyohei Yoneda et al. · Chemical Physics Letters · 2009 · 76 citations

Materials Science, Graphene Nanomeshes, Graphene Quantum Dot +13

Density functional theory investigation of the polarizability and second hyperpolarizability of polydiacetylene and polybutatriene chains: Treatment of exact exchange and role of correlation

Benoı̂t Champagne, Felipe A. Bulat, Weitao Yang et al. · The Journal of Chemical Physics · 2006 · 66 citations

Engineering, Computational Chemistry, Chemistry +20

Theoretical investigation on the second hyperpolarizabilities of open-shell singlet systems by spin-unrestricted density functional theory with long-range correction: Range separating parameter dependence

Sean Bonness, Hitoshi Fukui, Kyohei Yoneda et al. · Chemical Physics Letters · 2010 · 61 citations

Quantum Science, Engineering, Physics +8