Efficient Compression Of The Environment Of An Open Quantum System

Abstract

In order to simulate open quantum systems, many approaches (such as Hamiltonian-based solvers in dynamical mean-field theory) aim for a reproduction of a desired environment spectral density in terms of a discrete set of bath states, mimicking the open system as a larger closed problem. Existing strategies to find a compressed representation of the environment for this purpose can be numerically demanding, or lack the compactness and systematic improvability required for an accurate description of the system propagator. We propose a method in which bath orbitals are constructed explicitly by an algebraic construction based on the Schmidt-decomposition of response wave functions, efficiently and systematically compressing the description of the full environment. These resulting bath orbitals are designed to directly reproduce the system Green's function, not hybridization, which allows for consideration of the relevant system energy scales to optimally model. This results in an accurate and efficient truncation of the environment, with applications in a wide range of numerical simulations of open quantum systems.

arXiv comment11 pages, 5 figures

References in corpus (33)

• The numerical renormalization group method for quantum impurity systems
• Intrinsic atomic orbitals: An unbiased bridge between quantum theory and chemical concepts
• Density matrix embedding: A simple alternative to dynamical mean-field theory
• Mechanical Control of Spin States in Spin-1 Molecules and the Underscreened Kondo Effect
• Density matrix embedding: A strong-coupling quantum embedding theory
• Franck-Condon blockade in suspended carbon nanotube quantum dots
• Quantum embedding theories
• A practical guide to density matrix embedding theory in quantum chemistry
• Efficient real frequency solver for dynamical mean field theory
• Orthogonal Polynomial Representation of Imaginary-Time Green's Functions
• Compressing Green's function using intermediate representation between imaginary-time and real-frequency domains
• Truncated Configuration Interaction expansions as solvers for correlated quantum impurity models and dynamical mean field theory
• Hierarchical Quantum Master Equation Approach to Electronic-Vibrational Coupling in Nonequilibrium Transport through Nanosystems
• Observation of the underscreened Kondo effect in a molecular transistor
• Chebyshev Matrix Product State Impurity Solver for the Dynamical Mean-Field Theory
• Temperature and bath size in exact diagonalization dynamical mean field theory
• How to discretize a quantum bath for real-time evolution
• Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory
• Imaginary-time matrix product state impurity solver for dynamical mean-field theory
• Spectral functions of strongly correlated extended systems via an exact quantum embedding
• Coupled-cluster impurity solvers for dynamical mean-field theory
• Rigorous wave function embedding with dynamical fluctuations
• Efficient temperature-dependent Green's functions methods for realistic systems: compact grids for orthogonal polynomial transforms
• Chebyshev polynomial representation of imaginary time response functions
• Efficient hybridization fitting for dynamical mean-field theory via semi-definite relaxation
• Adaptively truncated Hilbert space based impurity solver for dynamical mean-field theory
• Importance of many body effects in the kernel of hemoglobin for ligand binding
• Energy-weighted density matrix embedding of open correlated chemical fragments
• Legendre-spectral Dyson equation solver with super-exponential convergence
• Dynamical Mean-Field Theory Simulations with the Adaptive Sampling Configuration Interaction Method
• A wave function perspective and efficient truncation of renormalised second-order perturbation theory
• Nonreciprocal Quantum Transport at Junctions of Structured Leads
• Frequency-dependent and algebraic bath states for a Dynamical Mean-Field Theory with compact support

Cited by in corpus (11)

• Non-Hermitian Pseudomodes for Strongly Coupled Open Quantum Systems: Unravelings, Correlations and Thermodynamics
• Fully Algebraic and Self-consistent Effective Dynamics in a Static Quantum Embedding
• Hybrid quantum-classical algorithm for computing imaginary-time correlation functions
• Quasi-Lindblad pseudomode theory for open quantum systems
• On the effective reconstruction of expectation values from ab initio quantum embedding
• Efficient excitations and spectra within a perturbative renormalization approach
• Sparse modeling of large-scale quantum impurity models with low symmetries
• Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
• On the pure state $v$-representability of density matrix embedding theory
• Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models
• Resolving Finite-Size Errors in EOM-CCSD Band Gaps of Solids with Interacting-Bath Dynamical Embedding Theory