S. Bonness

Electron donor solvent effects on the (hyper)polarizabilities of a singlet diradical molecule involving a boron atom

M. Nakano, B. Champagne, E. Botek, 2009 .

Simulation of photoelectron spectra with anharmonicity fully included: Application to the X 2A2<--X 1A1 band of furan.

B. Kirtman, J. Luis, S. Bonness, 2006, The Journal of chemical physics.

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

M. Nakano, B. Champagne, E. Botek, 2009 .

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

M. Nakano, B. Champagne, E. Botek, 2010, The Journal of chemical physics.

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

Hideo Sekino, Bernard Kirtman, Benoit Champagne, 2008, The Journal of chemical physics.

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

Benoît Champagne, Hitoshi Fukui, Edith Botek, 2010 .

THEORETICAL STUDY ON OPEN-SHELL NONLINEAR OPTICAL MOLECULAR SYSTEMS AND A DEVELOPMENT OF A NOVEL COMPUTATIONAL SCHEME OF EXCITON DYNAMICS

M. Nakano, Takuya Minami, Kyohei Yoneda, 2009 .

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

Benoît Champagne, Bernard Kirtman, Weitao Yang, 2006, The Journal of chemical physics.