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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…
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…