22 citations · 46 across the 5 of their papers we have counts for
5 papers
Cumulants as the Variables of Density Cumulant Theory: A Path to Hermitian Triples
Jonathon P. Misiewicz, Justin M. Turney, Henry F. Schaefer
We study the combination of orbital-optimized density cumulant theory and a new parameterization of the reduced density matrices in which the variables are the particle-hole cumula…
Coupled Cluster Externally Corrected by Adaptive Configuration Interaction
Gustavo J. R. Aroeira, Madeline M. Davis, Justin M. Turney +1
An externally corrected coupled cluster (CC) method, where an adaptive configuration interaction (ACI) wave function provides the external cluster amplitudes, named ACI-CC, is pres…
Assessing the Orbital-Optimized Unitary Ansatz for Density Cumulant Theory
Jonathon P. Misiewicz, Justin M. Turney, Henry F. Schaefer +1
The previously proposed ansatz for density cumulant theory that combines orbital-optimization and a parameterization of the 2-electron reduced density matrix cumulant in terms of u…
Fast construction of the exchange operator in an atom-centered basis with concentric atomic density fitting
David S. Hollman, Henry F. Schaefer, Edward F. Valeev
A linear-scaling algorithm is presented for computing the Hartree-Fock (HF) exchange matrix using concentric atomic density fitting. The algorithm utilizes the stronger distance de…
A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions
David S. Hollman, Henry F. Schaefer, Edward F. Valeev
A new estimator for three-center two-particle Coulomb integrals is presented. Our estimator is exact for some classes of integrals and is much more efficient than the standard Schw…