59 citations · 78 across the 5 of their papers we have counts for
3 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…
Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation
Nicholas H. Stair, Francesco A. Evangelista
This work explores the ability of classical electronic structure methods to efficiently represent (compress) the information content of full configuration interaction (FCI) wave fu…
A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons
Nicholas H. Stair, Renke Huang, Francesco A. Evangelista
We introduce a multireference selected quantum Krylov (MRSQK) algorithm suitable for quantum simulation of many-body problems. MRSQK is a low-cost alternative to the quantum phase…