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Ke Liao
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Year
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
1012018
Communication: Finite size correction in periodic coupled cluster theory calculations of solids
K Liao, A Grüneis
The Journal of Chemical Physics 145 (141102), 2016
522016
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
142019
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
82021
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
42021
Density Matrix Renormalization Group for Transcorrelated Hamiltonians: Ground and Excited States in ab initio Systems
K Liao, H Zhai, EM Christlmaier, T Schraivogel, PL Ríos, D Kats, A Alavi
arXiv preprint arXiv:2211.00173, 2022
2022
Ab initio studies of solid phase diagrams with quantum chemical theories
K Liao
2021
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Articles 1–7