Marc de Wergifosse

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

Electron correlation effects on the first hyperpolarizability of push–pull π-conjugated systems

Marc de Wergifosse, Benoı̂t Champagne · The Journal of Chemical Physics · 2011 · 195 citations · Full text

Improving the Second-Order Nonlinear Optical Response of Fluorescent Proteins: The Symmetry Argument

Evelien De Meulenaere, N. Nguyen Bich, Marc de Wergifosse et al. · Journal of the American Chemical Society · 2013 · 59 citations · Full text

Fluorescent Protein, Engineering, Nonlinear Optics +14

Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of the first hyperpolarizability

Marc de Wergifosse, Stefan Grimme · The Journal of Chemical Physics · 2018 · 59 citations · Full text

Engineering, First Hyperpolarizability, Excitation Energy Transfer +22

Evaluation of the molecular static and dynamic first hyperpolarizabilities

Marc de Wergifosse, Vincent Liégeois, Benoı̂t Champagne · International Journal of Quantum Chemistry · 2014 · 57 citations · Full text

Numerical Analysis, Derivatives, Engineering +12