Segui
Ke Liao
Titolo
Citata da
Citata da
Anno
Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit
T Gruber, K Liao, T Tsatsoulis, F Hummel, A Grüneis
Physical Review X 8 (2), 2018
1472018
Communication: Finite size correction in periodic coupled cluster theory calculations of solids
K Liao, A Grüneis
The Journal of Chemical Physics 145 (141102), 2016
742016
Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond
H Zhai, HR Larsson, S Lee, ZH Cui, T Zhu, C Sun, L Peng, R Peng, K Liao, ...
The Journal of Chemical Physics 159 (23), 2023
482023
Towards efficient and accurate ab initio solutions to periodic systems via transcorrelation and coupled cluster theory
K Liao, T Schraivogel, H Luo, D Kats, A Alavi
Physical Review Research 3, 033072, 2021
372021
A comparative study using state-of-the-art electronic structure theories on solid hydrogen phases under high pressures
K Liao, XZ Li, A Alavi, A Grüneis
npj Computational Materials 5, 110, 2019
232019
Density matrix renormalization group for transcorrelated Hamiltonians: Ground and excited states in molecules
K Liao, H Zhai, EMC Christlmaier, T Schraivogel, PL Ríos, D Kats, A Alavi
Journal of Chemical Theory and Computation 19 (6), 1734-1743, 2023
202023
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method
W Dobrautz, IO Sokolov, K Liao, PL Ríos, M Rahm, A Alavi, I Tavernelli
Journal of Chemical Theory and Computation 20 (10), 4146–4160, 2024
13*2024
What can Quantum Information Theory Offer to Quantum Chemistry?
D Aliverti-Piuri, K Chatterjee, L Ding, K Liao, J Liebert, C Schilling
Faraday Discussions, 2024
62024
Structural and electronic properties of solid molecular hydrogen from many-electron theories
K Liao, T Shen, XZ Li, A Alavi, A Grüneis
Physical Review B 103 (5), 054111, 2021
62021
Quantum Information Orbitals (QIO): Unveiling Intrinsic Many-Body Complexity by Compressing Single-Body Triviality
K Liao, L Ding, C Schilling
The Journal of Physical Chemistry Letters 15 (26), 6782-6790, 2024
32024
Energy-filtered excited states and real-time dynamics served in a contour integral
K Liao
https://arxiv.org/abs/2409.07354, 2024
2024
Stochastic and low-scaling techniques/extended systems: general discussion
A Alavi, K Atalar, TC Berkelbach, GH Booth, J Chen, D Danilov, ...
Faraday Discussions 254, 570-585, 2024
2024
Stochastic and low-scaling techniques: general discussion
A Alavi, M Allen, K Atalar, TC Berkelbach, GH Booth, HGA Burton, ...
Faraday Discussions 254, 451-499, 2024
2024
Novel perturbative and variational methods for stronger correlations: general discussion
V Abraham, K Atalar, KO Berard, GH Booth, HGA Burton, GKL Chan, ...
Faraday Discussions 254, 191-215, 2024
2024
Ab initio studies of solid phase diagrams with quantum chemical theories
K Liao
2021
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–15