256 citations · 276 across the 4 of their papers we have counts for
4 papers · 1 filter
Forte: A Suite of Advanced Multireference Quantum Chemistry Methods
Francesco A. Evangelista, Chenyang Li, Prakash Verma +14
Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an over…
Time Dependent Adaptive Configuration Interaction Applied to Attosecond Charge Migration
Jeffrey B. Schriber, Francesco A. Evangelista
In this work, we present a time-dependent (TD) selected configuration interaction method based on our recently-introduced adaptive configuration interaction (ACI). We show that ACI…
A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes
Jeffrey B. Schriber, Kevin P. Hannon, Francesco A. Evangelista
We have combined our adaptive configuration interaction (ACI) [J.B. Schriber and F.A. Evangelista, J. Chem. Phys. 144, 161106 (2016)] with a density-fitted implementation of the se…
An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy
Jeffrey B. Schriber, Francesco A. Evangelista
We introduce a new procedure for iterative selection of determinant spaces capable of describing highly correlated systems. This adaptive configuration interaction (ACI) determines…