G. Chan

发表

The Ground State Electronic Energy of Benzene.

Daniel S. Levine, Ali Alavi, Ning Zhang, 2020, The journal of physical chemistry letters.

An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry

Debashree Ghosh, Garnet Kin-Lic Chan, Johannes Hachmann, 2007, 0711.1398.

Importance sampling large deviations in nonequilibrium steady states. I.

David T. Limmer, G. Chan, U. Ray, 2017, The Journal of chemical physics.

Importance sampling large deviations in nonequilibrium steady states: Part 1

David T. Limmer, G. Chan, U. Ray, 2017 .

M. Head‐Gordon, G. Chan, 2002 .

Quantum Simulation of Electronic Structure with Linear Depth and Connectivity.

Alán Aspuru-Guzik, G. Chan, J. McClean, 2017, Physical review letters.

Low-Depth Quantum Simulation of Materials

H. Neven, G. Chan, J. McClean, 2018 .

Entangled quantum electronic wavefunctions of the Mn₄CaO₅ cluster in photosystem II.

G. Chan, T. Yanai, Yuki Kurashige, 2013, Nature chemistry.

Low entanglement wavefunctions

Garnet Kin-Lic Chan, G. Chan, 2012 .

Approximating strongly correlated wave functions with correlator product states

Garnet Kin-Lic Chan, Cyrus J. Umrigar, Hitesh J. Changlani, 2009, 0907.4646.

Approximating strongly correlated spin and fermion wavefunctions with correlator product states

Jesse M. Kinder, G. Chan, C. Umrigar, 2010 .

Intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model

George H. Booth, G. Chan, Sandeep Sharma, 2014, 1402.5622.

First-principles coupled cluster theory of the electronic spectrum of transition metal dichalcogenides

G. Chan, A. Pulkin, Artem Pulkin, 2019, 1909.10886.

Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases

E. M. Stoudenmire, G. Chan, A. Millis, 2019, 1911.01618.

Correct Quantum Chemistry in a Minimal Basis from Effective Hamiltonians.

G. Chan, T. Watson, 2015, Journal of chemical theory and computation.

Excited-State Geometry Optimization with the Density Matrix Renormalization Group, as Applied to Polyenes.

Garnet Kin-Lic Chan, G. Chan, Weifeng Hu, 2015, Journal of chemical theory and computation.

Generalization of the exponential basis for tensor network representations of long-range interactions in two and three dimensions

G. Chan, Zhendong Li, M. O’Rourke, 2019, Physical Review B.

C8H8: a density functional theory study of molecular geometries introducing the localised bond density

G. Chan, N. Handy, 1996 .

Simulating challenging correlated molecules and materials on the Sycamore quantum processor

Ruslan N. Tazhigulov, Adrian T. K. Tan, G. Chan, 2022, 2203.15291.

Targeted excited state algorithms.

Jonathan J. Dorando, G. Chan, J. Hachmann, 2007, The Journal of chemical physics.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Alán Aspuru-Guzik, Michael W. Schmidt, Yan Zhao, 2014, Molecular Physics.

Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer.

George H. Booth, G. Chan, Sandeep Sharma, 2014, The Journal of chemical physics.

A Perturbative Density Matrix Renormalization Group Algorithm for Large Active Spaces.

G. Chan, Zhendong Li, Sheng Guo, 2018, Journal of chemical theory and computation.

Embedding theory for excited states with inclusion of self-consistent environment screening

T. Arias, G. Chan, J. Lischner, 2010, 1003.0102.

A state interaction spin-orbit coupling density matrix renormalization group method.

Elvira R. Sayfutyarova, G. Chan, E. Sayfutyarova, 2016, The Journal of chemical physics.

Automatic transformation of irreducible representations for efficient contraction of tensors with cyclic group symmetry

Edgar Solomonik, G. Chan, P. Helms, 2020, SciPost Physics Codebases.

Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition.

G. Chan, E. Neuscamman, T. Yanai, 2012, Physical chemistry chemical physics : PCCP.

Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanics.

Frank Neese, Garnet Kin-Lic Chan, Kantharuban Sivalingam, 2014, Nature chemistry.

Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculations.

G. Chan, J. Stanton, Hai-Ping Cheng, 2020, The Journal of chemical physics.

Spin-projected matrix product states (SP-MPS): a versatile tool for strongly correlated systems

G. Chan, Zhendong Li, 2017, 1703.04789.

Spin-Projected Matrix Product States: Versatile Tool for Strongly Correlated Systems.

G. Chan, Zhendong Li, 2017, Journal of chemical theory and computation.

A transformed framework for dynamic correlation in multireference problems.

G. Chan, A. Sokolov, 2014, The Journal of chemical physics.

Time-Step Targeting Time-Dependent and Dynamical Density Matrix Renormalization Group Algorithms with ab Initio Hamiltonians.

G. Chan, Enrico Ronca, Zhendong Li, 2017, Journal of chemical theory and computation.

Hyper-optimized compressed contraction of tensor networks with arbitrary geometry

G. Chan, Johnnie Gray, 2022, 2206.07044.

Differentiable quantum chemistry with PySCF for molecules and materials at the mean-field level and beyond

G. Chan, Xing Zhang, 2022, 2207.13836.

Systematic electronic structure in the cuprate parent state from quantum many-body simulations

G. Chan, Xing Zhang, Zhi-Hao Cui, 2021, Science.

Chapter 7 The Density Matrix Renormalization Group in Quantum Chemistry

G. Chan, D. Zgid, 2009 .

Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulations

G. Chan, Qiming Sun, Zhendong Li, 2018, Nature Chemistry.

Efficient representation of long-range interactions in tensor network algorithms

G. Chan, Zhendong Li, M. O’Rourke, 2018, Physical Review B.

Quadratic canonical transformation theory and higher order density matrices.

Garnet Kin-Lic Chan, Eric Neuscamman, Takeshi Yanai, 2009, The Journal of chemical physics.

Erratum: “Quadratic canonical transformation theory and higher order density matrices” [J. Chem. Phys. 130, 124102 (2009)]

G. Chan, E. Neuscamman, T. Yanai, 2009 .

Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group.

G. Chan, J. Hachmann, W. Cardoen, 2006, The Journal of chemical physics.

Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids.

Qiming Sun, Garnet Kin-Lic Chan, Timothy C. Berkelbach, 2017, Journal of chemical theory and computation.

Differentiable quantum chemistry with PySCF for molecules and materials at the mean-field level and beyond.

G. Chan, Xing Zhang, 2022, The Journal of chemical physics.

Coupled-cluster impurity solvers for dynamical mean-field theory

Timothy C. Berkelbach, G. Chan, James D. McClain, 2019, Physical Review B.

Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the GW and related approximations

Timothy C. Berkelbach, S. Louie, D. Matthews, 2015, 1512.04556.

Efficient tree tensor network states (TTNS) for quantum chemistry: generalizations of the density matrix renormalization group algorithm.

Garnet Kin-Lic Chan, Naoki Nakatani, G. Chan, 2013, The Journal of chemical physics.

Is there evidence for exponential quantum advantage in quantum chemistry?

Edward F. Valeev, J. Preskill, Joonho Lee, 2022, 2208.02199.

Matrix Product States with Large Sites.

G. Chan, Klaas Gunst, Huanchen Zhai, 2021, Journal of chemical theory and computation.

Quantum embedding for complex systems

Garnet Kin-Lic Chan, G. Chan, 2017 .

Dynamical mean-field theory from a quantum chemical perspective.

Garnet Kin-Lic Chan, Dominika Zgid, G. Chan, 2010, The Journal of chemical physics.

Finite-temperature density matrix embedding theory

G. Chan, U. Ray, M. Ferrero, 2017, Physical Review B.

Five years of density matrix embedding theory

G. Chan, S. Wouters, Carlos A. Jim'enez-Hoyos, 2016, 1605.05547.

Final Technical Report for Predictive Computing for Condensed Matter

Garnet Kin-Lic Chan, Roberto Car, G. Chan, 2018 .

The ab-initio density matrix renormalization group in practice.

Garnet Kin-Lic Chan, Naoki Nakatani, Roberto Olivares-Amaya, 2015, The Journal of chemical physics.

A comparison between the one- and two-step spin-orbit coupling approaches based on the ab initio density matrix renormalization group.

G. Chan, Huanchen Zhai, 2022, The Journal of chemical physics.

Projector quantum Monte Carlo with matrix product states

G. Chan, S. Wouters, D. Neck, 2014, 1403.3125.

Canonical transformation theory from extended normal ordering.

Garnet Kin-Lic Chan, Takeshi Yanai, G. Chan, 2007, The Journal of chemical physics.

Striped spin liquid crystal ground state instability of kagome antiferromagnets.

Garnet Kin-Lic Chan, Eric Neuscamman, Bryan K Clark, 2012, Physical review letters.

Conversion of projected entangled pair states into a canonical form

Garnet Kin-Lic Chan, Matthew J. O'Rourke, G. Chan, 2019, Physical Review B.

A general second order complete active space self-consistent-field solver for large-scale systems

Qiming Sun, Jun Yang, Garnet Kin-Lic Chan, 2016, 1610.08394.

Spin-adapted density matrix renormalization group algorithms for quantum chemistry.

Garnet Kin-Lic Chan, Sandeep Sharma, G. Chan, 2012, The Journal of chemical physics.

Efficient Two Dimensional Tensor Network Algorithms for Systems with Long-Range Interactions

Garnet Kin-Lic Chan, Matthew J. O'Rourke, Zhendong Li, 2019 .

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

David M. Ceperley, Qiming Sun, Emanuel Gull, 2017, 1705.01608.

Cluster size convergence of the density matrix embedding theory and its dynamical cluster formulation: A study with an auxiliary-field quantum Monte Carlo solver

G. Chan, Shiwei Zhang, Hao Shi, 2016, 1608.03316.

From plane waves to local Gaussians for the simulation of correlated periodic systems.

Garnet Kin-Lic Chan, George H. Booth, Andreas Grüneis, 2016, The Journal of chemical physics.

Density-matrix renormalization-group algorithms with nonorthogonal orbitals and non-Hermitian operators, and applications to polyenes.

Garnet Kin-Lic Chan, Troy Van Voorhis, G. Chan, 2005, The Journal of chemical physics.

Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms

Andrey E. Antipov, Emanuel Gull, Garnet Kin-Lic Chan, 2015, 1505.02290.

Quantum Computation of Finite-Temperature Static and Dynamical Properties of Spin Systems Using Quantum Imaginary Time Evolution

Garnet Kin-Lic Chan, Austin J. Minnich, Mario Motta, 2020, PRX Quantum.

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).

Qiming Sun, Garnet Kin-Lic Chan, Mark A Watson, 2015, Journal of chemical theory and computation.

Stripe order in the underdoped region of the two-dimensional Hubbard model

Garnet Kin-Lic Chan, Hao Shi, Steven R. White, 2016, Science.

Tailored coupled cluster singles and doubles method applied to calculations on molecular structure and harmonic vibrational frequencies of ozone.

Garnet Kin-Lic Chan, Rodney J Bartlett, R. Bartlett, 2006, The Journal of chemical physics.

Canonical transformation theory for multireference problems.

Garnet Kin-Lic Chan, Takeshi Yanai, G. Chan, 2006, The Journal of chemical physics.

Density matrix embedding: a simple alternative to dynamical mean-field theory.

Garnet Kin-Lic Chan, Gerald Knizia, G. Chan, 2012, Physical review letters.

The orbital-specific-virtual local coupled cluster singles and doubles method.

Frederick R Manby, Jun Yang, Garnet Kin-Lic Chan, 2012, The Journal of chemical physics.

Accelerating convergence in iterative solution for large-scale complete active space self-consistent-field calculations

Debashree Ghosh, Garnet Kin-Lic Chan, Takeshi Yanai, 2009 .

Linear response theory for the density matrix renormalization group: efficient algorithms for strongly correlated excited states.

Garnet Kin-Lic Chan, Naoki Nakatani, Sebastian Wouters, 2013, The Journal of chemical physics.

Low rank representations for quantum simulation of electronic structure

Ryan Babbush, Jarrod R. McClean, Garnet Kin-Lic Chan, 2018, npj Quantum Information.

Communication: Excited states, dynamic correlation functions and spectral properties from full configuration interaction quantum Monte Carlo.

Garnet Kin-Lic Chan, George H. Booth, George H Booth, 2012, The Journal of chemical physics.

Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals.

Qiming Sun, Garnet Kin-Lic Chan, Elvira R. Sayfutyarova, 2017, Journal of chemical theory and computation.

A study of cumulant approximations to n-electron valence multireference perturbation theory.

Debashree Ghosh, Garnet Kin-Lic Chan, Eric Neuscamman, 2009, The Journal of chemical physics.

Canonical Transformation Theory for Dynamic Correlations in Multireference Problems

Garnet Kin-Lic Chan, Takeshi Yanai, G. Chan, 2007 .

Ground-state phase diagram of the square lattice Hubbard model from density matrix embedding theory

Garnet Kin-Lic Chan, G. Chan, Bo-Xiao Zheng, 2015, 1504.01784.

Final technical report: SciDAC partnership "Predictive Computing for Condensed Matter"

Lucas K. Wagner, So Hirata, Garnet Kin-Lic Chan, 2017 .

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 Yu Sokolov, Garnet Kin-Lic Chan, Sheng Guo, 2017, The Journal of chemical physics.

Hilbert space renormalization for the many-electron problem.

Garnet Kin-Lic Chan, G. Chan, Zhendong Li, 2015, The Journal of chemical physics.

Novel algorithms and high-performance cloud computing enable efficient fully quantum mechanical protein-ligand scoring

Toru Shiozaki, Yuhang Wang, Garnet Kin-Lic Chan, 2020, 2004.08725.

Density matrix embedding theory for interacting electron-phonon systems

G. Chan, B. Sandhoefer, 2016, 1602.04195.

A Practical Guide to Density Matrix Embedding Theory in Quantum Chemistry.

Qiming Sun, Sebastian Wouters, G. Chan, 2016, Journal of chemical theory and computation.

An extensive study of gradient approximations to the exchange-correlation and kinetic energy functionals

G. Chan, N. Handy, 2000 .

Hyper-optimized compressed contraction of tensor networks with arbitrary geometry

G. Chan, Johnnie Gray, 2022, 2206.07044.

Holographic Simulation of Correlated Electrons on a Trapped-Ion Quantum Processor

G. Chan, R. Haghshenas, M. Foss-Feig, 2021, PRX Quantum.

Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry

Edward F. Valeev, J. Preskill, Joonho Lee, 2022, Nature Communications.

Simulating Models of Challenging Correlated Molecules and Materials on the Sycamore Quantum Processor

Ruslan N. Tazhigulov, G. Chan, R. Babbush, 2022, PRX Quantum.

Towards Neural Variational Monte Carlo That Scales Linearly with System Size

Anima Anandkumar, Or Sharir, G. Chan, 2022, ArXiv.

Correlator product state study of molecular magnetism in the giant Keplerate Mo_(72)Fe_(30)

G. Chan, E. Neuscamman, 2012, 1203.6883.

The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations.

G. Chan, C. Umrigar, N. Dattani, 2018, The Journal of chemical physics.

Real-time evolution of Anderson impurity models via tensor network influence functionals

D. Reichman, G. Chan, A. Millis, 2022, Physical Review B.

A time-dependent formulation of multi-reference perturbation theory.

G. Chan, A. Sokolov, 2015, The Journal of chemical physics.

Mechanical Control of Spin States in Spin-1 Molecules and the Underscreened Kondo Effect

D. Ralph, G. Chan, H. Abruña, 2010, Science.

Using Hyperoptimized Tensor Networks and First-Principles Electronic Structure to Simulate the Experimental Properties of the Giant {Mn84} Torus.

G. Chan, Minseong Lee, Johnnie Gray, 2022, The journal of physical chemistry letters.

Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group.

G. Chan, E. Sayfutyarova, 2017, The Journal of chemical physics.

Single-molecule conductance of pyridine-terminated dithienylethene switch molecules.

D. Ralph, G. Chan, H. Abruña, 2011, ACS nano.

The density matrix renormalization group in quantum chemistry.

Sandeep Sharma, G. Chan, Sandeep Sharma, 2011, Annual review of physical chemistry.

Dynamical phase behavior of the single- and multi-lane asymmetric simple exclusion process via matrix product states.

G. Chan, U. Ray, P. Helms, 2019, Physical review. E.

Exact Fluctuations of Nonequilibrium Steady States from Approximate Auxiliary Dynamics.

Garnet Kin-Lic Chan, David T. Limmer, Ushnish Ray, 2017, Physical review letters.

Ab Initio Full Cell GW+DMFT for Correlated Materials

G. Chan, Tianyu Zhu, 2020, Physical Review X.

Efficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory

G. Chan, Tianyu Zhu, Zhi-Hao Cui, 2019 .

Time-dependent density functional theory of classical fluids.

Garnet Kin-Lic Chan, Reimar Finken, G. Chan, 2005, Physical review letters.

A theoretical study of the 3d-M(smif)2 complexes: structure, magnetism, and oxidation states.

G. Chan, J. Hachmann, P. T. Wolczanski, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene.

Debashree Ghosh, Johannes Hachmann, Takeshi Yanai, 2007, The Journal of chemical physics.

PySCF: the Python‐based simulations of chemistry framework

Sandeep Sharma, Zhendong Li, Garnet Kin-Lic Chan, 2018 .

Simplified and improved approach to tensor network operators in two dimensions

G. Chan, M. O’Rourke, 2019, Physical Review B.

Quantum Imaginary Time Evolution, Quantum Lanczos, and Quantum Thermal Averaging

F. Brandão, G. Chan, A. Minnich, 2019 .

Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution

F. Brandão, G. Chan, A. Minnich, 2019, Nature Physics.

Nonstochastic algorithms for Jastrow-Slater and correlator product state wave functions

Jesse M. Kinder, G. Chan, E. Neuscamman, 2011 .

Quantum Computation of Finite-Temperature Static and Dynamical Properties of Spin Systems Using Quantum Imaginary Time Evolution

Ruslan N. Tazhigulov, G. Chan, A. Minnich, 2020, PRX Quantum.

Electronic structure of bulk manganese oxide and nickel oxide from coupled cluster theory

G. Chan, A. Minnich, M. Motta, 2019, Physical Review B.

Hierarchical Clifford Transformations to Reduce Entanglement in Quantum Chemistry Wave Functions.

Tanvi P. Gujarati, G. Chan, A. Mezzacapo, 2023, Journal of chemical theory and computation.

Low communication high performance ab initio density matrix renormalization group algorithms.

G. Chan, Huanchen Zhai, 2021, The Journal of chemical physics.

An algorithm for large scale density matrix renormalization group calculations.

Garnet Kin-Lic Chan, G. Chan, 2004, The Journal of chemical physics.

Exact solution (within a triple-zeta, double polarization basis set) of the electronic Schrödinger equation for water

Garnet Kin-Lic Chan, Martin Head-Gordon, M. Head‐Gordon, 2003 .

Variational Power of Quantum Circuit Tensor Networks

G. Chan, R. Haghshenas, Johnnie Gray, 2021, Physical Review X.

Numerical continuum tensor networks in two dimensions

G. Chan, R. Haghshenas, Zhi-Hao Cui, 2020, Physical Review Research.

A Time-Dependent Formulation of Coupled-Cluster Theory for Many-Fermion Systems at Finite Temperature.

G. Chan, Alec F. White, 2018, Journal of chemical theory and computation.

Efficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Density Matrix Embedding Theory.

G. Chan, Tianyu Zhu, Zhi-Hao Cui, 2019, Journal of chemical theory and computation.

Projected density matrix embedding theory with applications to the two-dimensional Hubbard model

Lin Lin, G. Chan, M. Lindsey, 2019, The Journal of Chemical Physics.

Quantum Embedding Theories.

Qiming Sun, Garnet Kin-Lic Chan, G. Chan, 2016, Accounts of chemical research.

Version Peer reviewed version Link to publication record in King ' s Research Portal

George H. Booth, G. Chan, A. Grüneis, 2013 .

Truncated configuration interaction expansions as solvers for correlated quantum impurity models and dynamical mean-field theory

Emanuel Gull, Dominika Zgid, G. Chan, 2012, 1203.1914.

Analytic response theory for the density matrix renormalization group.

Garnet Kin-Lic Chan, Johannes Hachmann, Jonathan J. Dorando, 2009, The Journal of chemical physics.

Hamiltonian symmetries in auxiliary-field quantum Monte Carlo calculations for electronic structure

G. Chan, M. Motta, Shiwei Zhang, 2019, Physical Review B.

Recent developments in the PySCF program package.

Timothy C. Berkelbach, George H. Booth, N. S. Blunt, 2020, The Journal of chemical physics.

Ground-state phase diagram of the three-band Hubbard model from density matrix embedding theory

G. Chan, Qiming Sun, Zhi-Hao Cui, 2020, Physical Review Research.

Gaussian and plane-wave mixed density fitting for periodic systems.

Qiming Sun, Garnet Kin-Lic Chan, Timothy C. Berkelbach, 2017, The Journal of chemical physics.

Density Matrix Embedding: A Strong-Coupling Quantum Embedding Theory.

Garnet Kin-Lic Chan, Gerald Knizia, G. Chan, 2012, Journal of chemical theory and computation.

A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics.

G. Chan, Joshua S. Kretchmer, 2016, The Journal of chemical physics.

A coupled cluster framework for electrons and phonons.

G. Chan, A. Minnich, Alec F. White, 2020, The Journal of chemical physics.

All-Electron Gaussian-Based G0W0 for Valence and Core Excitation Energies of Periodic Systems.

G. Chan, Tianyu Zhu, 2020, Journal of chemical theory and computation.

A review of canonical transformation theory

Garnet Kin-Lic Chan, Eric Neuscamman, Takeshi Yanai, 2010 .

Low-Depth Quantum Simulation of Materials

Hartmut Neven, Nathan Wiebe, Ryan Babbush, 2017, 1706.00023.

Ground-state phase diagram of the three-band Hubbard model in various parametrizations from density matrix embedding theory

G. Chan, Qiming Sun, Zhi-Hao Cui, 2020, 2001.04951.

Exact parameterization of fermionic wave functions via unitary coupled cluster theory.

Francesco A. Evangelista, G. Scuseria, G. Chan, 2019, The Journal of chemical physics.

Spectral functions of strongly correlated extended systems via an exact quantum embedding

Garnet Kin-Lic Chan, George H. Booth, G. Chan, 2013, 1309.2320.

Finite and infinite matrix product states for Gutzwiller projected mean-field wave functions

G. Chan, B. Clark, B. Zheng, 2020, Physical Review B.

The radical character of the acenes: a density matrix renormalization group study.

Garnet Kin-Lic Chan, Johannes Hachmann, Jonathan J. Dorando, 2007, The Journal of chemical physics.

Interacting models for twisted bilayer graphene: A quantum chemistry approach

Kevin D. Stubbs, G. Chan, M. Zaletel, 2022, Physical Review B.

Externally Corrected CCSD with Renormalized Perturbative Triples (R-ecCCSD(T)) and the Density Matrix Renormalization Group and Selected Configuration Interaction External Sources.

Seunghoon Lee, G. Chan, Sandeep Sharma, 2021, Journal of chemical theory and computation.

The Ground State Electronic Energy of Benzene.

Daniel S. Levine, K. B. Whaley, M. Head‐Gordon, 2020, The journal of physical chemistry letters.

Minimal matrix product states and generalizations of mean-field and geminal wavefunctions.

G. Chan, H. Larsson, Carlos A. Jim'enez-Hoyos, 2020, Journal of chemical theory and computation.

Communication: An efficient stochastic algorithm for the perturbative density matrix renormalization group in large active spaces.

G. Chan, Zhendong Li, Sheng Guo, 2018, The Journal of chemical physics.

PySCF: the Python‐based simulations of chemistry framework

Sandeep Sharma, Garnet Kin-Lic Chan, Zhendong Li, 2017, 1701.08223.

A projected approximation to strongly contracted N-electron valence perturbation theory for DMRG wavefunctions.

Sheng Guo, G. Chan, Michael Roemelt, 2016, The Journal of chemical physics.

Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms.

Garnet Kin-Lic Chan, Anna Keselman, Naoki Nakatani, 2016, The Journal of chemical physics.

Communication: A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states.

Garnet Kin-Lic Chan, Sandeep Sharma, G. Chan, 2014, The Journal of chemical physics.

Thouless theorem for matrix product states and subsequent post density matrix renormalization group methods

G. Chan, N. Nakatani, S. Wouters, 2013, 1305.1761.

Strongly contracted canonical transformation theory.

Garnet Kin-Lic Chan, Eric Neuscamman, Takeshi Yanai, 2010, The Journal of chemical physics.

Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory.

Garnet Kin-Lic Chan, Eric Neuscamman, Takeshi Yanai, 2010, The Journal of chemical physics.

Density matrix renormalisation group Lagrangians.

Garnet Kin-Lic Chan, G. Chan, 2008, Physical chemistry chemical physics : PCCP.

State-of-the-art density matrix renormalization group and coupled cluster theory studies of the nitrogen binding curve.

Jürgen Gauss, Garnet Kin-Lic Chan, Mihály Kállay, 2004, The Journal of chemical physics.

On the Distribution of Eigenvalues of Grand Canonical Density Matrices

Paul W. Ayers, Garnet Kin-Lic Chan, G. Chan, 2002 .

The Fermionic Quantum Emulator

G. Chan, R. Babbush, N. Rubin, 2021, Quantum.

The Chromium Dimer: Closing a Chapter of Quantum Chemistry

G. Chan, C. Umrigar, Huanchen Zhai, 2022, Journal of the American Chemical Society.

Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy

D. Matthews, G. Chan, M. Schütz, 2014, Science.

The Fate of Atomic Spin in Atomic Scattering off Surfaces.

G. Chan, Joshua S. Kretchmer, 2018, The journal of physical chemistry letters.

Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution

F. Brandão, G. Chan, A. Minnich, 2019, Nature Physics.

Realizing symmetry-protected topological phases in a spin-1/2 chain with next-nearest-neighbor hopping on superconducting qubits

Ruslan N. Tazhigulov, G. Chan, A. Minnich, 2021, Physical Review A.

Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians

George H. Booth, Kiel T. Williams, Yuan Yao, 2019, Physical Review X.

Exact relationships between the GW approximation and equation-of-motion coupled-cluster theories through the quasi-boson formalism.

G. Chan, Garnet Kin-Lic Chan, Johannes Tölle, 2022, The Journal of chemical physics.

Hartree–Fock orbitals which obey the nuclear cusp condition

Peter T. A. Galek, G. Chan, N. Handy, 2005 .

Publisher Correction: Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution

F. Brandão, G. Chan, A. Minnich, 2020, Nature Physics.

Correlation potentials and functionals in Hartree-Fock-Kohn-Sham theory

Nicholas C. Handy, David J. Tozer, G. Chan, 1997 .

Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry

Edward F. Valeev, J. Preskill, D. Reichman, 2023, Nature Communications.

Analytic Time Evolution, Random Phase Approximation, and Green Functions for Matrix Product States

Jesse M. Kinder, G. Chan, C. Ralph, 2011, 1103.2155.

Constructing tensor network influence functionals for general quantum dynamics.

G. Chan, Erika Ye, 2021, The Journal of chemical physics.

Entanglement in the quantum phases of an unfrustrated Rydberg atom array

G. Chan, M. O’Rourke, 2022, Nature communications.

Thomas–Fermi–Dirac–von Weizsäcker models in finite systems

G. Chan, N. Handy, A. Cohen, 2001 .

Optimizing large parameter sets in variational quantum Monte Carlo

Garnet Kin-Lic Chan, Eric Neuscamman, C. J. Umrigar, 2011, 1108.0900.

Exact and Optimal Quantum Mechanics/Molecular Mechanics Boundaries.

Qiming Sun, Garnet Kin-Lic Chan, G. Chan, 2014, Journal of chemical theory and computation.

Excited States of Butadiene to Chemical Accuracy: Reconciling Theory and Experiment.

G. Chan, M. Watson, 2012, Journal of chemical theory and computation.

Time-dependent coupled cluster theory on the Keldysh contour for non-equilibrium systems.

G. Chan, Alec F. White, 2019, Journal of chemical theory and computation.

The orbital-specific virtual local triples correction: OSV-L(T).

Frederick R Manby, Garnet Kin-Lic Chan, Hans-Joachim Werner, 2013, The Journal of chemical physics.

Optimized Lieb-Oxford bound for the exchange-correlation energy

G. Chan, N. Handy, 1999 .

An Ab Initio Correction Vector Restricted Active Space Approach to the L-Edge XAS and 2p3d RIXS Spectra of Transition Metal Complexes

Seunghoon Lee, G. Chan, Huanchen Zhai, 2023, Journal of chemical theory and computation.

Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron–Sulfur Clusters

Seunghoon Lee, G. Chan, U. Ryde, 2023, The journal of physical chemistry. A.

Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations in Gaussian Bases via Low-Rank Tensor Decomposition.

G. Chan, M. Motta, Shiwei Zhang, 2018, Journal of chemical theory and computation.

Comment on "Numerical Evidence Falsifying Finite-Temperature Many-Body Perturbation Theory"

G. Chan, Alec F. White, 2018, 1810.03653.

The nodes of Hartree-Fock wavefunctions and their orbitals

Peter T. A. Galek, G. Chan, N. Handy, 2004 .

A fresh look at ensembles: Derivative discontinuities in density functional theory

G. Chan, 1999 .

Tensor factorizations of local second-order Møller-Plesset theory.

Frederick R Manby, Jun Yang, Yuki Kurashige, 2010, The Journal of chemical physics.

Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory.

Frederick R Manby, Jun Yang, Yuki Kurashige, 2012, The Journal of chemical physics.

Lowering of the complexity of quantum chemistry methods by choice of representation.

Garnet Kin-Lic Chan, Narbe Mardirossian, G. Chan, 2017, The Journal of chemical physics.

Quantum harmonic free energies for biomolecules and nanomaterials

G. Chan, Xing Zhang, Chenghan Li, 2021, Nature Computational Science.

Dynamical Phase Transitions in a 2D Classical Nonequilibrium Model via 2D Tensor Networks.

G. Chan, P. Helms, 2020, Physical review letters.

Exploring the Magnetic Properties of the Largest Single Molecule Magnets.

G. Chan, M. O’Rourke, Dian-Teng Chen, 2020, The journal of physical chemistry letters.

A NEW CHEMICAL CONCEPT : SHAPE CHEMICAL POTENTIALS

G. Chan, N. Handy, 1998 .

Single-walled carbon nanotubes as excitonic optical wires.

Daniel Y Joh, Jesse M. Kinder, G. Chan, 2011, Nature nanotechnology.

Simulating quantum circuit expectation values by Clifford perturbation theory

G. Chan, Tomislav Beguvsi'c, Kasra Hejazi, 2023, 2306.04797.

Ab initio quantum many-body description of superconducting trends in the cuprates

Timothy C. Berkelbach, G. Chan, Xing Zhang, 2023, 2306.16561.

A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states

G. Chan, Sandeep Sharma, 2014 .

On-chip Rayleigh imaging and spectroscopy of carbon nanotubes.

Jesse M. Kinder, G. Chan, Jiwoong Park, 2011, Nano letters.

Fermionic Reduced Density Low-Rank Matrix Completion, Noise Filtering, and Measurement Reduction in Quantum Simulations

G. Chan, Xing Zhang, Linqing Peng, 2023, Journal of chemical theory and computation.

Simulating quantum circuit expectation values by Clifford perturbation theory

G. Chan, Tomislav Beguvsi'c, Kasra Hejazi, 2023, 2306.04797.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Michael W. Schmidt, Shawn T. Brown, Igor Ying Zhang, 2014, Molecular Physics.

Fast and converged classical simulations of evidence for the utility of quantum computing before fault tolerance

G. Chan, Johnnie Gray, Tomislav Beguvsi'c, 2023, 2308.05077.

Fast classical simulation of evidence for the utility of quantum computing before fault tolerance

G. Chan, Tomislav Beguvsi'c, 2023, 2306.16372.

Simulating quantum circuit expectation values by Clifford perturbation theory

G. Chan, Tomislav Beguvsi'c, Kasra Hejazi, 2023, 2306.04797.

Quantum Imaginary Time Evolution, Quantum Lanczos, and Quantum Thermal Averaging

Garnet Kin-Lic Chan, Mario Motta, Fernando G. S. L. Brandão, 2019 .

Density matrix renormalization group, 30 years on

F. Verstraete, M. Bañuls, G. Chan, 2023, Nature Reviews Physics.

Hyper-optimized approximate contraction of tensor networks with arbitrary geometry

G. Chan, Johnnie Gray, 2022, 2206.07044.

Low communication high performance ab initio density matrix renormalization group algorithms.

G. Chan, Huanchen Zhai, 2021, The Journal of chemical physics.

Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms

Ireneusz W. Bulik, G. Scuseria, G. Chan, 2015, 1505.02290.

Assessment of DFT functionals for a minimal nitrogenase [Fe(SH)4H]- model employing state-of-the-art ab initio methods.

Seunghoon Lee, G. Chan, U. Ryde, 2023, The Journal of chemical physics.

Ab initio quantum many-body description of superconducting trends in the cuprates

Timothy C. Berkelbach, G. Chan, Xing Zhang, 2023, 2306.16561.

Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulations

G. Chan, Qiming Sun, Zhendong Li, 2018, Nature Chemistry.

The ab-initio density matrix renormalization group in practice.

G. Chan, Sandeep Sharma, N. Nakatani, 2015, The Journal of chemical physics.

A projected approximation to strongly contracted N-electron valence perturbation theory for DMRG wavefunctions.

G. Chan, Michael Roemelt, Sheng Guo, 2016, The Journal of chemical physics.

Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition.

G. Chan, Yuki Kurashige, Takeshi Yanai, 2012, Physical chemistry chemical physics : PCCP.

Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory.

G. Chan, Yuki Kurashige, Takeshi Yanai, 2010, The Journal of chemical physics.

Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases

G. Chan, A. Millis, M. Motta, 2020, Physical Review X.

Stripe order in the underdoped region of the two-dimensional Hubbard model

G. Chan, G. Ehlers, Shiwei Zhang, 2016, Science.

The Fate of Atomic Spin in Atomic Scattering off Surfaces.

G. Chan, Joshua S. Kretchmer, 2018, The journal of physical chemistry letters.

Time-dependent coupled cluster theory on the Keldysh contour for non-equilibrium systems.

G. Chan, Alec F. White, 2019, Journal of chemical theory and computation.

Correct Quantum Chemistry in a Minimal Basis from Effective Hamiltonians.

G. Chan, T. Watson, 2015, Journal of chemical theory and computation.

A study of cumulant approximations to n-electron valence multireference perturbation theory.

G. Chan, Debashree Ghosh, D. Zgid, 2009, The Journal of chemical physics.

The Python-based Simulations of Chemistry Framework (PySCF)

Timothy C. Berkelbach, George H. Booth, N. S. Blunt, 2018 .

Strongly contracted canonical transformation theory.

G. Chan, Takeshi Yanai, Eric Neuscamman, 2010, The Journal of chemical physics.

From plane waves to local Gaussians for the simulation of correlated periodic systems.

George H. Booth, G. Chan, A. Grüneis, 2016, The Journal of chemical physics.

Arithmetic circuit tensor networks, multivariable function representation, and high-dimensional integration

G. Chan, Johnnie Gray, Ruojing Peng, 2022, Physical Review Research.

Uniform peak optical conductivity in single-walled carbon nanotubes

Jesse M. Kinder, G. Chan, Jiwoong Park, 2011, 1101.3546.

Exact Fluctuations of Nonequilibrium Steady States from Approximate Auxiliary Dynamics.

David T. Limmer, G. Chan, Ushnish Ray, 2017, Physical review letters.