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Journal of Chemical Theory and Computation|September 28, 2017
Time-Step Targeting Time-Dependent and Dynamical Density Matrix Renormalization Group Algorithms with ab Initio HamiltoniansEnrico Ronca, Zhendong Li, Carlos A Jimenez-Hoyos, et al.The Journal of Chemical Physics|December 15, 2020
A coupled cluster framework for electrons and phononsAlec F White, Yang Gao, Austin J Minnich, et al.The Journal of Chemical Physics|July 11, 2016
Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithmsGarnet Kin-Lic Chan, Anna Keselman, Naoki Nakatani, et al.Journal of Chemical Theory and Computation|February 26, 2016
N-Electron Valence State Perturbation Theory Based on a Density Matrix Renormalization Group Reference Function, with Applications to the Chromium Dimer and a Trimer Model of Poly(p-Phenylenevinylene)Sheng Guo, Mark A Watson, Weifeng Hu, et al.The Journal of Physical Chemistry Letters|September 19, 2019
Stimulated X-ray Raman and Absorption Spectroscopy of Iron-Sulfur DimersDaeheum Cho, Jeremy R Rouxel, Shaul Mukamel, et al.Nature Communications|February 21, 2025
Ab initio quantum many-body description of superconducting trends in the cupratesZhi-Hao Cui, Junjie Yang, Johannes Tölle, et al.The Journal of Chemical Physics|January 17, 2019
The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulationsZhendong Li, Junhao Li, Nikesh S Dattani, et al.Physical Review Letters|January 29, 2025
Tensor Network Computations That Capture Strict Variationality, Volume Law Behavior, and the Efficient Representation of Neural Network StatesWen-Yuan Liu, Si-Jing Du, Ruojing Peng, et al.The Journal of Chemical Physics|April 17, 2012
The orbital-specific-virtual local coupled cluster singles and doubles methodJun Yang, Garnet Kin-Lic Chan, Frederick R Manby, et al.Science (New York, N.Y.)|August 9, 2014
Theoretical chemistry. Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracyJun Yang, Weifeng Hu, Denis Usvyat, et al.Pageof 16