Chemical Physics · Physics
A practical guide to density matrix embedding theory in quantum chemistry
Sebastian Wouters, Carlos A. Jiménez-Hoyos, Qiming Sun, Garnet Kin-Lic Chan
2016-11-29
Chemical Physics · Physics
Projected Density Matrix Embedding Theory with Applications to the Two-Dimensional Hubbard Model
Xiaojie Wu, Zhi-Hao Cui, Yu Tong, Michael Lindsey +2
2019-09-04
Strongly Correlated Electrons · Physics
Towards Excitations and Dynamical Quantities in Correlated Lattices with Density Matrix Embedding Theory
Shuoxue Li, Chenghan Li, Huanchen Zhai, Garnet Kin-Lic Chan
2025-11-13
Mathematical Physics · Physics
Some mathematical insights on Density Matrix Embedding Theory
Eric Cancès, Fabian M. Faulstich, Alfred Kirsch, Eloïse Letournel +1
2023-10-03
Computational Physics · Physics
Ab initio quantum embedding at finite temperature with density matrix embedding theory
Laurence Giordano, Y. Stanley Tan, Zhi-Hao Cui, Chong Sun
2026-01-06
Computational Physics · Physics
Enhancing robustness and efficiency of density matrix embedding theory via semidefinite programming and local correlation potential fitting
Xiaojie Wu, Michael Lindsey, Tiangang Zhou, Yu Tong +1
2020-08-19
Strongly Correlated Electrons · Physics
New perspectives on Density-Matrix Embedding Theory
Alicia Negre, Fabian Faulstich, Raehyun Kim, Thomas Ayral +2
2025-03-14
Chemical Physics · Physics
Approximations based on density-matrix embedding theory for density-functional theories
Iris Theophilou, Teresa E. Reinhard, Angel Rubio, Michael Ruggenthaler
2021-03-04
Chemical Physics · Physics
Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?
Hung Q. Pham, Varinia Bernales, Laura Gagliardi
2018-03-01
Computational Physics · Physics
Improving density matrix electronic structure method by deep learning
Zechen Tang, Nianlong Zou, He Li, Yuxiang Wang +9
2024-06-26
Strongly Correlated Electrons · Physics
Finite temperature density matrix embedding theory
Chong Sun, Ushnish Ray, Zhi-Hao Cui, Miles Stoudenmire +2
2020-03-04
Chemical Physics · Physics
Incremental Embedding: A Density Matrix Embedding Scheme for Molecules
Hong-Zhou Ye, Matthew Welborn, Nathan D. Ricke, Troy Van Voorhis
2022-10-11