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Journal of Chemical Theory and Computation|June 20, 2025
General Quantum Alchemical Free Energy Simulations via Hamiltonian InterpolationChenghan Li, Xing Zhang, Garnet Kin-Lic ChanJournal of Chemical Theory and Computation|October 19, 2023
An Ab Initio Correction Vector Restricted Active Space Approach to the L-Edge XAS and 2p3d RIXS Spectra of Transition Metal ComplexesSeunghoon Lee, Huanchen Zhai, Garnet Kin-Lic ChanJournal of Chemical Theory and Computation|December 14, 2023
Fermionic Reduced Density Low-Rank Matrix Completion, Noise Filtering, and Measurement Reduction in Quantum SimulationsLinqing Peng, Xing Zhang, Garnet Kin-Lic ChanThe Journal of Chemical Physics|October 18, 2006
Multireference correlation in long molecules with the quadratic scaling density matrix renormalization groupJohannes Hachmann, Wim Cardoen, Garnet Kin-Lic ChanJournal of Chemical Theory and Computation|June 22, 2018
A Perturbative Density Matrix Renormalization Group Algorithm for Large Active SpacesSheng Guo, Zhendong Li, Garnet Kin-Lic ChanThe Journal of Chemical Physics|September 28, 2004
State-of-the-art density matrix renormalization group and coupled cluster theory studies of the nitrogen binding curveGarnet Kin-Lic Chan, Mihály Kállay, Jürgen GaussThe Journal of Chemical Physics|April 15, 2025
Simulating quantum circuit expectation values by Clifford perturbation theoryTomislav Begušić, Kasra Hejazi, Garnet Kin-Lic ChanNature Chemistry|July 25, 2013
Entangled quantum electronic wavefunctions of the Mn₄CaO₅ cluster in photosystem IIYuki Kurashige, Garnet Kin-Lic Chan, Takeshi YanaiJournal 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 ChanThe 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 ChanPageof 17