no code implementations • 4 Mar 2021 • Ke Liao, Thomas Schraivogel, Hongjun Luo, Daniel Kats, Ali Alavi
We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set, but also extends the applicability of the lowest order CC approximations to strongly correlated regimes in the three dimensional uniform electron gas (3D UEG).
Strongly Correlated Electrons Chemical Physics Computational Physics
no code implementations • 22 Feb 2021 • Khaldoon Ghanem, Niklas Liebermann, Ali Alavi
In this paper, we investigate the population control bias in the full configuration interaction quantum Monte Carlo method.
Computational Physics Strongly Correlated Electrons
1 code implementation • 12 Nov 2020 • Ali Alavi
One native source of quality deterioration in medical imaging, and especially in our case optical coherence tomography (OCT), is the turbid biological media in which photon does not take a predictable path and many scattering events would influence the effective path length and change the polarization of polarized light.
no code implementations • 13 Jun 2018 • Emmanuel Giner, David Tew, Yann Garniron, Ali Alavi
We present a comprehensive theoretical study of the physical phenomena that determine the relative energies of the three of the lowest electronic states of each of the square-planar copper complexes $\cucl$, $\cunh$ and $\cuwater$, and present a detailed analysis of the extent to which truncated configuration interaction (CI) and coupled cluster (CC) theories succeed in predicing the excitation energies.
Strongly Correlated Electrons Chemical Physics
