3 papers
physics.chem-ph2019
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…
physics.chem-ph2018
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…
physics.chem-ph2016
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…