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Journal of Chemical Theory and Computation|August 28, 2018
Time-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite TemperatureJiajun Ren, Zhigang Shuai, Garnet Kin-Lic Chan
The Journal of Chemical Physics|February 3, 2018
Lowering of the complexity of quantum chemistry methods by choice of representationNarbe Mardirossian, James D McClain, Garnet Kin-Lic Chan
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 Chan
The Journal of Chemical Physics|April 2, 2018
Importance sampling large deviations in nonequilibrium steady states. IUshnish Ray, Garnet Kin-Lic Chan, David T Limmer
Physical Review Letters|June 9, 2018
Exact Fluctuations of Nonequilibrium Steady States from Approximate Auxiliary DynamicsUshnish Ray, Garnet Kin-Lic Chan, David T Limmer
Journal 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 Chan
Physical 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|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.
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