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Real time evolution of Anderson impurity models via tensor network influence functionals
Nathan Ng, Gunhee Park, Andrew J. Millis +2
In this work we present and analyze two tensor network-based influence functional approaches for simulating the real-time dynamics of quantum impurity models such as the Anderson m…
Interacting models for twisted bilayer graphene: a quantum chemistry approach
Fabian M. Faulstich, Kevin D. Stubbs, Qinyi Zhu +7
The nature of correlated states in twisted bilayer graphene (TBG) at the magic angle has received intense attention in recent years. We present a numerical study of an interacting…
Entanglement in the quantum phases of an unfrustrated Rydberg atom array
Matthew J. O'Rourke, Garnet Kin-Lic Chan
We report on the ground state phase diagram of interacting Rydberg atoms in the unfrustrated square lattice array. Using new tensor network algorithms, we scale to large systems in…
Finite and Infinite Matrix Product States for Gutzwiller Projected Mean-Field Wavefunctions
Gabriel Petrica, Bo-Xiao Zheng, Garnet Kin-Lic Chan +1
Matrix product states (MPS) and `dressed' ground states of quadratic mean fields (e.g. Gutzwiller projected Slater Determinants) are both important classes of variational wave-func…
Numerical continuum tensor networks in two dimensions
Reza Haghshenas, Zhi-Hao Cui, Garnet Kin-Lic Chan
We describe the use of tensor networks to numerically determine wave functions of interacting two-dimensional fermionic models in the continuum limit. We use two different tensor n…
Ab Initio Full Cell GW+DMFT for Correlated Materials
Tianyu Zhu, Garnet Kin-Lic Chan
Quantitative prediction of electronic properties in correlated materials requires simulations without empirical truncations and parameters. We present a method to achieve this goal…
Ground-state phase diagram of the three-band Hubbard model from density matrix embedding theory
Zhi-Hao Cui, Chong Sun, Ushnish Ray +3
We determine the ground-state phase diagram of the three-band Hubbard model across a range of model parameters using density matrix embedding theory. We study the atomic-scale natu…
Finite temperature density matrix embedding theory
Chong Sun, Ushnish Ray, Zhi-Hao Cui +3
We describe a formulation of the density matrix embedding theory at finite temperature. We present a generalization of the ground-state bath orbital construction that embeds a mean…
A simplified and improved approach to tensor network operators in two dimensions
Matthew J. O'Rourke, Garnet Kin-Lic Chan
Matrix product states (MPS) and matrix product operators (MPOs) are one dimensional tensor networks that underlie the modern density matrix renormalization group (DMRG) algorithm.…
Ground-state properties of the hydrogen chain: insulator-to-metal transition, dimerization, and magnetic phases
Mario Motta, Claudio Genovese, Fengjie Ma +14
Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of ma…
Efficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Density Matrix Embedding Theory
Zhi-Hao Cui, Tianyu Zhu, Garnet Kin-Lic Chan
We describe an efficient quantum embedding framework for realistic ab initio density matrix embedding (DMET) calculations in solids. We discuss in detail the choice of orbitals and…
On the generalization of the exponential basis for tensor network representations of long-range interactions in two and three dimensions
Zhendong Li, Matthew J. O'Rourke, Garnet Kin-Lic Chan
In one dimension (1D), a general decaying long-range interaction can be fit to a sum of exponential interactions with varying exponents , each of which can be rep…
Coupled-cluster impurity solvers for dynamical mean-field theory
Tianyu Zhu, Carlos A. Jimenez-Hoyos, James McClain +2
We describe the use of coupled-cluster theory as an impurity solver in dynamical mean-field theory (DMFT) and its cluster extensions. We present numerical results at the level of c…
Conversion of projected entangled pair states into a canonical form
R. Haghshenas, Matthew J. O'Rourke, Garnet Kin-Lic Chan
We propose an algorithm to convert a projected entangled pair state (PEPS) into a canonical form, analogous to the well-known canonical form of a matrix product state. Our approach…
Efficient representation of long-range interactions in tensor network algorithms
Matthew J. O'Rourke, Zhendong Li, Garnet Kin-Lic Chan
We describe a practical and efficient approach to represent physically realistic long-range interactions in two-dimensional tensor network algorithms via projected entangled-pair o…
The fate of atomic spin in atomic scattering off surfaces
Joshua S. Kretchmer, Garnet Kin-Lic Chan
We explore model electron dynamics of an atom scattering off a surface within the time-dependent complete active space self consistent field (TD-CASSCF) approximation. We focus esp…
Stripe order in the underdoped region of the two-dimensional Hubbard model
Bo-Xiao Zheng, Chia-Min Chung, Philippe Corboz +7
Competing inhomogeneous orders are a central feature of correlated electron materials including the high-temperature superconductors. The two- dimensional Hubbard model serves as t…
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
We investigate the cluster size convergence of the energy and observables using two forms of density matrix embedding theory (DMET): the original cluster form (CDMET) and a new for…
Five years of density matrix embedding theory
Sebastian Wouters, Carlos A. Jiménez-Hoyos, Garnet K. -L. Chan
Density matrix embedding theory (DMET) describes finite fragments in the presence of a surrounding environment. In contrast to most embedding methods, DMET explicitly allows for qu…
From plane waves to local Gaussians for the simulation of correlated periodic systems
George H. Booth, Theodoros Tsatsoulis, Garnet Kin-Lic Chan +1
We present a simple, robust and black-box approach to the implementation and use of local, periodic, atom-centered Gaussian basis functions within a plane wave code, in a computati…
Density matrix embedding theory for interacting electron-phonon systems
Barbara Sandhoefer, Garnet Kin-Lic Chan
We describe the extension of the density matrix embedding theory (DMET) framework to coupled interacting fermion-boson systems. This provides a frequency-independent, entanglement…
Ground-state phase diagram of the square lattice Hubbard model from density matrix embedding theory
Bo-Xiao Zheng, Garnet Kin-Lic Chan
We compute the ground-state phase diagram of the Hubbard and frustrated Hubbard models on the square lattice with density matrix embedding theory using clusters of up to 16 sites.…
Projector quantum Monte Carlo with matrix product states
Sebastian Wouters, Brecht Verstichel, Dimitri Van Neck +1
We marry tensor network states (TNS) and projector quantum Monte Carlo (PMC) to overcome the high computational scaling of TNS and the sign problem of PMC. Using TNS as trial wavef…
The intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model
Qiaoni Chen, George H. Booth, Sandeep Sharma +2
We obtain the phase-diagram of the half-filled honeycomb Hubbard model with density matrix embedding theory, to address recent controversy at intermediate couplings. We use cluster…