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Journal of Chemical Theory and Computation|December 10, 2019
Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field TheoryTianyu Zhu, Zhi-Hao Cui, Garnet Kin-Lic ChanThe Journal of Chemical Physics|September 4, 2007
Targeted excited state algorithmsJonathan J Dorando, Johannes Hachmann, Garnet Kin-Lic ChanJournal of Chemical Theory and Computation|December 10, 2019
Efficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Density Matrix Embedding TheoryZhi-Hao Cui, Tianyu Zhu, Garnet Kin-Lic ChanPhysical Chemistry Chemical Physics : PCCP|May 12, 2012
Extended implementation of canonical transformation theory: parallelization and a new level-shifted conditionTakeshi Yanai, Yuki Kurashige, Eric Neuscamman, et al.Nature Chemistry|October 2, 2019
Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulationsZhendong Li, Sheng Guo, Qiming Sun, et al.The Journal of Chemical Physics|April 17, 2008
Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-caroteneDebashree Ghosh, Johannes Hachmann, Takeshi Yanai, et al.The Journal of Chemical Physics|January 26, 2010
Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theoryTakeshi Yanai, Yuki Kurashige, Eric Neuscamman, et al.Journal of Chemical Theory and Computation|May 16, 2019
Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations in Gaussian Bases via Low-Rank Tensor DecompositionMario Motta, James Shee, Shiwei Zhang, et al.The Journal of Physical Chemistry. A|January 23, 2025
Introducing GPU Acceleration into the Python-Based Simulations of Chemistry FrameworkRui Li, Qiming Sun, Xing Zhang, et al.The Journal of Chemical Physics|May 27, 2009
A study of cumulant approximations to n-electron valence multireference perturbation theoryDominika Zgid, Debashree Ghosh, Eric Neuscamman, et al.Pageof 14