466 citations · 4.3k across the 81 of their papers we have counts for
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Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
Yann Garniron, Thomas Applencourt, Kevin Gasperich +16
\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determina…
Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets
Emanuele Coccia, Roland Assaraf, Eleonora Luppi +1
We propose a method for obtaining effective lifetimes of scattering electronic states for avoiding the artificially confinement of the wave function due to the use of incomplete ba…
Gaussian continuum basis functions for calculating high-harmonic generation spectra
Emanuele Coccia, Bastien Mussard, Marie Labeye +4
We explore the computation of high-harmonic generation spectra by means of Gaussian basis sets in approaches propagating the time-dependent Schr{ö}dinger equation. We investigate t…
Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules
Julien Toulouse, C. J. Umrigar
We pursue the development and application of the recently-introduced linear optimization method for determining the optimal linear and nonlinear parameters of Jastrow-Slater wave f…