Related papers: Embedding via the Exact Factorization Approach
Preserving spin symmetry in variational quantum algorithms is essential for producing physically meaningful electronic wavefunctions. Implementing spin-adapted transformations on quantum hardware, however, is challenging because the…
In this paper, we develop a framework to construct energy-preserving methods for multi-components Hamiltonian systems, combining the exponential integrator and the partitioned averaged vector field method. This leads to numerical schemes…
We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which…
We use the factorization method to find the exact eigenvalues and eigenfunctions for a particle in a box with the delta function potential $V(x)=\lambda\delta(x-x_{0})$. We show that the presence of the potential results in the…
Light-matter coupled Hamiltonians are central to cavity materials engineering and polaritonic chemistry, but are challenging to simulate with classical hardware due to the scaling of the Hilbert space with the number of quantum photon modes…
We discuss the exact plaquette-ordered ground states of the generalized Hubbard model on the Kagom\'e lattice for several fillings, by constructing the Hamiltonian as a sum of products of projection operators for up and down spin sectors.…
A variational formulation for the calculation of interacting fermion systems based on the density-matrix functional theory is presented. Our formalism provides for a natural integration of explicit many-particle effects into standard…
In this work, we consider a fundamental task in quantum many-body physics - finding and learning ground states of quantum Hamiltonians and their properties. Recent works have studied the task of predicting the ground state expectation value…
We propose a numerical method which embeds the variational non-Gaussian wavefunction approach within exact diagonalization, allowing for efficient treatment of correlated systems with both electron-electron and electron-phonon interactions.…
The modified factorization technique of a quantum system characterized by position-dependent mass Hamiltonian is presented. It has been shown that the singular superpotential defined in terms of a mass function and a excited state wave…
Quantum annealing solves combinatorial optimization problems by finding the energetic ground states of an embedded Hamiltonian. However, quantum annealing dynamics under the embedded Hamiltonian may violate the principles of adiabatic…
A local embedding and effective downfolding scheme has been developed and implemented in the auxiliary-field quantum Monte Carlo (AFQMC) method. A local cluster in which electrons are fully correlated is defined and the frozen orbital…
We propose introducing an extended Hubbard Hamiltonian derived via the ab initio downfolding method, which was originally formulated for periodic materials, towards efficient quantum computing of molecular electronic structure calculations.…
We present a numerical method for the accurate and efficient simulation of strongly localized light sources, such as quantum dots, embedded in dielectric micro-optical structures. We apply the method in order to optimize the photon…
Accurate determination of qubit parameters is critical for the successful implementation of quantum information and computation applications. In solid state systems, the parameters of individual qubits vary across the entire system,…
We present application examples of a graphical method for the efficient construction of potential matrix elements in quantum physics or quantum chemistry. The simplicity and power of this method are illustrated through several examples. In…
We introduce a quantum data embedding protocol based on the preparation of a ground state of a parameterized Hamiltonian. We analyze the corresponding quantum feature map, recasting it as an adiabatic state preparation procedure with…
We present an essentially exact numerical method for modelling flux qubit chains subject to charge and flux noise. We define an essentially exact method as one that introduces errors that are completely controlled such that they can be made…
We describe a simple method to find the ground state energy without calculating the expectation value of the Hamiltonian in the time-evolving block decimation algorithm with tensor network states. For example, we consider quantum…
We derive a rigorous, quantum mechanical map of fermionic creation and annihilation operators to continuous Cartesian variables that exactly reproduces the matrix structure of the many-fermion problem. We show how our scheme can be used to…