Publications (68)
Quantum Simulation of Electronic Structure with Linear Depth and Connectivity
Ian D. Kivlichan, Jarrod McClean, Nathan Wiebe +4
An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry
Garnet Kin-Lic Chan, Jonathan J. Dorando, Debashree Ghosh +4
Hamiltonian symmetries in auxiliary-field quantum Monte Carlo calculations for electronic structure
Mario Motta, Shiwei Zhang, Garnet Kin-Lic Chan
Efficient ab initio auxiliary-field quantum Monte Carlo calculations in Gaussian bases via low-rank tensor decomposition
Mario Motta, James Shee, Shiwei Zhang +1
Gaussian and plane-wave mixed density fitting for periodic systems
Qiming Sun, Timothy C. Berkelbach, James D. McClain +1
Striped spin liquid crystal ground state instability of kagome antiferromagnets
Bryan Clark, Jesse Kinder, Eric Neuscamman +2
Correct quantum chemistry in a minimal basis from effective Hamiltonians
Thomas J. Watson, Garnet Kin-Lic Chan
Projector quantum Monte Carlo with matrix product states
Sebastian Wouters, Brecht Verstichel, Dimitri Van Neck +1
Spin-projected matrix product states (SP-MPS): a versatile tool for strongly correlated systems
Zhendong Li, Garnet Kin-Lic Chan
Dynamical mean-field theory from a quantum chemical perspective
Dominika Zgid, Garnet Kin-Lic Chan
Excited States, Dynamic Correlation Functions and Spectral Properties from Full Configuration Interaction Quantum Monte Carlo
George H. Booth, Garnet Kin-Lic Chan
From plane waves to local Gaussians for the simulation of correlated periodic systems
George H. Booth, Theodoros Tsatsoulis, Garnet Kin-Lic Chan +1
A correlator product state study of molecular magnetism in the giant Keplerate Mo72Fe30
Eric Neuscamman, Garnet Kin-Lic Chan
Analytic Time Evolution, Random Phase Approximation, and Green Functions for Matrix Product States
Jesse M. Kinder, Claire C. Ralph, Garnet Kin-Lic Chan
Spectral functions of strongly correlated extended systems via an exact quantum embedding
George H. Booth, Garnet Kin-Lic Chan
Time-step targeting time-dependent and dynamical density matrix renormalization group algorithms with ab initio Hamiltonians
Enrico Ronca, Zhendong Li, Carlos A. Jimenez-Hoyos +1
Density matrix embedding theory for interacting electron-phonon systems
Barbara Sandhoefer, Garnet Kin-Lic Chan
A Perturbative Density Matrix Renormalization Group Algorithm for Large Active Spaces
Sheng Guo, Zhendong Li, Garnet Kin-Lic Chan
Time-dependent coupled cluster theory on the Keldysh contour for non-equilibrium systems
Alec F. White, Garnet Kin-Lic Chan
Embedding theory for excited states with inclusion of self-consistent environment screening
Johannes Lischner, Dominika Zgid, Garnet Kin-Lic Chan +1
Spectral Functions of the Uniform Electron Gas via Coupled-Cluster Theory and Comparison to the $GW$ and Related Approximations
James McClain, Johannes Lischner, Thomas Watson +5
The intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model
Qiaoni Chen, George H. Booth, Sandeep Sharma +2
An efficient stochastic algorithm for the perturbative density matrix renormalization group in large active spaces
Sheng Guo, Zhendong Li, Garnet Kin-Lic Chan
A spin-adapted Density Matrix Renormalization Group algorithm for quantum chemistry
Sandeep Sharma, Garnet Kin-Lic Chan
A general second order complete active space self-consistent-field solver for large-scale systems
Qiming Sun, Jun Yang, Garnet Kin-Lic Chan
Density matrix embedding: A simple alternative to dynamical mean-field theory
Gerald Knizia, Garnet Kin-Lic Chan
Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer
Sandeep Sharma, Takeshi Yanai, George H. Booth +2
Approximating strongly correlated spin and fermion wavefunctions with correlator product states
Hitesh J. Changlani, Jesse M. Kinder, Cyrus J. Umrigar +1
The radical character of the acenes: A density matrix renormalization group study
Johannes Hachmann, Jonathan J. Dorando, Michael Aviles +1
Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanics
Sandeep Sharma, Kantharuban Sivalingam, Frank Neese +1
Uniform Peak Optical Conductivity in Single-Walled Carbon Nanotubes
Jesse M. Kinder, Jiwoong Park, Garnet Kin-Lic Chan
Cluster size convergence of the density matrix embedding theory and its dynamical cluster formulation: a study with an auxiliary-field quantum Monte Carlo solver
Bo-Xiao Zheng, Joshua S. Kretchmer, Hao Shi +2
Efficient Tree Tensor Network States (TTNS) for Quantum Chemistry: Generalizations of the Density Matrix Renormalization Group Algorithm
Naoki Nakatani, Garnet Kin-Lic Chan
Comment on "Numerical Evidence Falsifying Finite-Temperature Many-Body Perturbation Theory"
Alec F. White, Garnet Kin-Lic Chan
Dynamical phase behavior of the single- and multi-lane asymmetric simple exclusion process via matrix product states
Phillip Helms, Ushnish Ray, Garnet Kin-Lic Chan
Targeted Excited State Algorithms
Jonathan J. Dorando, Johannes Hachmann, Garnet Kin-Lic Chan
Hilbert space renormalization for the many-electron problem
Zhendong Li, Garnet Kin-Lic Chan
Efficient representation of long-range interactions in tensor network algorithms
Matthew J. O'Rourke, Zhendong Li, Garnet Kin-Lic Chan
The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations
Zhendong Li, Junhao Li, Nikesh S. Dattani +2
Density matrix embedding: A strong-coupling quantum embedding theory
Gerald Knizia, Garnet Kin-Lic Chan
Exact fluctuations of nonequilibrium steady states from approximate auxiliary dynamics
Ushnish Ray, Garnet Kin-Lic Chan, David T. Limmer
Linear Response Theory for the Density Matrix Renormalization Group: Efficient Algorithms for Strongly Correlated Excited States
Naoki Nakatani, Sebastian Wouters, Dimitri Van Neck +1
Lowering of the complexity of quantum chemistry methods by choice of representation
Narbe Mardirossian, James D. McClain, Garnet Kin-Lic Chan
Multireference Correlation in Long Molecules with the Quadratic Scaling Density Matrix Renormalization Group
Johannes Hachmann, Wim Cardoen, Garnet Kin-Lic Chan
N-electron valence state perturbation theory based on a density matrix renormalization group reference function, with applications to the chromium dimer and poly-p-phenylene vinylene oligomer
Sheng Guo, Mark A. Watson, Weifeng Hu +2
Matrix Product Operators, Matrix Product States, and ab initio Density Matrix Renormalization Group algorithms
Garnet Kin-Lic Chan, Anna Keselman, Naoki Nakatani +2
Time-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite Temperature
Jiajun Ren, Zhigang Shuai, Garnet Kin-Lic Chan
A canonical transformation theory from extended normal ordering
Takeshi Yanai, Garnet Kin-Lic Chan
Low Depth Quantum Simulation of Electronic Structure
Ryan Babbush, Nathan Wiebe, Jarrod McClean +3
A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics
Joshua S. Kretchmer, Garnet Kin-Lic Chan
Optimizing large parameter sets in variational quantum Monte Carlo
Eric Neuscamman, C. J. Umrigar, Garnet Kin-Lic Chan
A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states
Sandeep Sharma, Garnet Kin-Lic Chan
Excited state geometry optimization with the density matrix renormalization group as applied to polyenes
Weifeng Hu, Garnet Kin-Lic Chan
The Python-based Simulations of Chemistry Framework (PySCF)
Qiming Sun, Timothy C. Berkelbach, Nick S. Blunt +9
A transformed framework for dynamic correlation in multireference problems
Alexander Yu. Sokolov, Garnet Kin-Lic Chan
A practical guide to density matrix embedding theory in quantum chemistry
Sebastian Wouters, Carlos A. Jiménez-Hoyos, Qiming Sun +1
Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods
Mario Motta, David M. Ceperley, Garnet Kin-Lic Chan +18
The Thouless theorem for matrix product states and subsequent post-density matrix renormalization group methods
Sebastian Wouters, Naoki Nakatani, Dimitri Van Neck +1
Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes
Alexander Sokolov, Sheng Guo, Enrico Ronca +1
Analytic response theory for the density matrix renormalization group
Jonathan J. Dorando, Johannes Hachmann, Garnet Kin-Lic Chan
The fate of atomic spin in atomic scattering off surfaces
Joshua S. Kretchmer, Garnet Kin-Lic Chan
Importance sampling large deviations in nonequilibrium steady states. I
Ushnish Ray, Garnet Kin-Lic Chan, David T. Limmer
Ground-state phase diagram of the square lattice Hubbard model from density matrix embedding theory
Bo-Xiao Zheng, Garnet Kin-Lic Chan
Further developments in correlator product states: deterministic optimization and energy evaluation
Eric Neuscamman, Hitesh Changlani, Jesse Kinder +1
Gaussian-based coupled-cluster theory for the ground state and band structure of solids
James McClain, Qiming Sun, Garnet Kin-Lic Chan +1
Solutions of the Two Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms
J. P. F. LeBlanc, Andrey E. Antipov, Federico Becca +22
Quantum embedding theories
Qiming Sun, Garnet Kin-Lic Chan
Density Matrix Renormalization Group Lagrangians
Garnet Kin-Lic Chan