no code implementations • 27 May 2017 • Bastien Mussard, Emanuele Coccia, Roland Assaraf, Matt Otten, C. J. Umrigar, Julien Toulouse
We present the extension of variational Monte Carlo (VMC) to the calculation of electronic excitation energies and oscillator strengths using time-dependent linear-response theory.
Chemical Physics Computational Physics
no code implementations • 23 Feb 2016 • Emanuele Coccia, Bastien Mussard, Marie Labeye, Jérémie Caillat, Richard Taïeb, Julien Toulouse, Eleonora Luppi
We explore the computation of high-harmonic generation spectra by means of Gaussian basis sets in approaches propagating the time-dependent Schr{\"o}dinger equation.
Computational Physics Atomic Physics Chemical Physics
