59 citations · 218 across the 14 of their papers we have counts for
14 papers
Stochastic resolution of identity to CC2 for large systems: Excited-state gradients and derivative couplings
Chongxiao Zhao, Chenyang Li, Wenjie Dou
Excited-state gradients and derivative couplings are critical for simulating excited-state dynamics. However, their calculations are very expensive within the coupled-cluster frame…
Stochastic resolution of identity to CC2 for large systems: Oscillator strength and ground state gradient calculations
Chongxiao Zhao, Qi Ou, Chenyang Li +1
An implementation of stochastic resolution of identity (sRI) approximation to CC2 oscillator strengths as well as ground state analytical gradients is presented. The essential 4-in…
Driven similarity renormalization group with a large active space: Applications to oligoacenes, zeaxanthin, and chromium dimer
Chenyang Li, Xiaoxue Wang, Huanchen Zhai +1
We present a new implementation of the driven similarity renormalization group (DSRG) based on a density matrix renormalization group (DMRG) reference. The explicit build of high-o…
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…