activity
20182024
most citedTime-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite Temperature

140 citations · 253 across the 8 of their papers we have counts for

collaborators

8 papers

quant-ph2024

Quantum chemistry, classical heuristics, and quantum advantage

Garnet Kin-Lic Chan

We describe the problems of quantum chemistry, the intuition behind classical heuristic methods used to solve them, a conjectured form of the classical complexity of quantum chemis…

physics.chem-ph2024★ 11 cited

Correlation Functions From Tensor Network Influence Functionals: The Case of the Spin-Boson Model

Haimi Nguyen, Nathan Ng, Lachlan P. Lindoy +4

We investigate the application of matrix product state (MPS) representations of the influence functionals (IF) for the calculation of real-time equilibrium correlation functions in…

physics.chem-ph2023

AB-GW: A practical GW method without frequency integration based on an auxiliary boson expansion

Johannes Tölle, Garnet Kin-Lic Chan

Common GW implementations rely on numerical or analytical frequency integration to determine the GW self-energy, which results in a variety of practical complicatio…

cond-mat.supr-con2023★ 20 cited

Ab initio quantum many-body description of superconducting trends in the cuprates

Zhi-Hao Cui, Junjie Yang, Johannes Tölle +9

Using a systematic ab initio quantum many-body approach that goes beyond low-energy models, we directly compute the superconducting pairing order and estimate the pairing gap of se…

physics.chem-ph2022★ 44 cited

Exact relationships between the GW approximation and equation-of-motion coupled-cluster theories through the quasi-boson formalism

Johannes Tölle, Garnet Kin-Lic Chan

We describe the relationship between the GW approximation and various equation-of-motion (EOM) coupled-cluster (CC) theories. We demonstrate the exact equivalence of the GW…

cond-mat.stat-mech2021★ 14 cited

Conservation laws in coupled cluster dynamics at finite-temperature

Ruojing Peng, Alec F. White, Huanchen Zhai +1

We extend the finite-temperature Keldysh non-equilibrium coupled cluster theory (Keldysh-CC) [{\it J. Chem. Theory Comput.} \textbf{2019}, 15, 6137-6253] to include a time-dependen…