1 citations · 1 across the 3 of their papers we have counts for
4 papers
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…
Frozen natural orbitals for the state-averaged driven similarity renormalization group
Chenyang Li, Shuxian Mao, Renke Huang +1
We present a reduced-cost implementation of the state-averaged driven similarity renormalization group (SA-DSRG) based on the frozen natural orbital (FNO) approach. The natural orb…
Leveraging small scale quantum computers with unitarily downfolded Hamiltonians
Renke Huang, Chenyang Li, Francesco A. Evangelista
In this work, we propose a quantum unitary downfolding formalism based on the driven similarity renormalization group (QDSRG) that may be combined with quantum algorithms for both…
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…