Related papers: Quantum Statistical Mechanics of Electronically Op…
The simulation of quantum transport in a realistic, many-particle system is a nontrivial problem with no quantitatively satisfactory solution. While real-time propagation has the potential to overcome the shortcomings of conventional…
Many quantum algorithms, including recently proposed hybrid classical/quantum algorithms, make use of restricted tomography of the quantum state that measures the reduced density matrices, or marginals, of the full state. The most…
We consider a damped oscillator mode that is resonantly driven and is coupled to an arbitrary target system via the position quadrature operator. For such a composite open quantum system, we develop a numerical method to compute the reduced…
We develop a statistical framework for the dynamical closure of spatiotemporal dynamics governed by partial differential equations. Employing the mathematical framework of quantum mechanics to embed the original classical dynamics into a…
Classical simulation of quantum operations is essential for algorithm design, noise characterisation, and benchmarking of quantum hardware. The most general physically realisable operation can be described by a positive linear map acting on…
The question of whether given density operators for subsystems of a multipartite quantum system are compatible to one common total density operator is known as the quantum marginal problem. We briefly review the solution of a subclass of…
Measuring the expectation value of the molecular electronic Hamiltonian is one of the challenging parts of the variational quantum eigensolver. A widely used strategy is to express the Hamiltonian as a sum of measurable fragments using…
We present a strategy for mapping the dynamics of a fermionic quantum system to a set of classical dynamical variables. The approach is based on imposing the correspondence relation between the commutator and the Poisson bracket, preserving…
Quantum coherence and other non-classical features are widely discussed in chemical dynamics, yet it remains difficult to quantify when such resources are operationally relevant for a given process and observable. While quantum resource…
Quantum systems out of equilibrium are presently a subject of active research, both in theoretical and experimental domains. In this work we consider time-periodically modulated quantum systems which are in contact with a stationary…
We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is…
The aim of this work is to introduce the entanglement entropy of real and virtual excitations of fermion and photon fields. By rewriting the generating functional of quantum electrodynamics theory as an inner product between quantum…
We offer new methods for characterizing general closed and convex quantum resource theories, including dynamic ones, based on entropic concepts and operational tasks. We propose a resource-theoretic generalization of the quantum conditional…
Efficient encoding of electronic operators into qubits is essential for quantum chemistry simulations. The majority of methods map single electron states to qubits, effectively handling electron interactions. Alternatively, pairs of…
The Fock exchange operator plays a central role in modern quantum chemistry. The large computational cost associated with the Fock exchange operator hinders Hartree-Fock calculations and Kohn-Sham density functional theory calculations with…
Mean-field molecular dynamics based on path integrals is used to approximate canonical quantum observables for particle systems consisting of nuclei and electrons. A computational bottleneck is the sampling from the Gibbs density of the…
Contents 1. Creation and annihilation operators for the system of indistinguishable particles 1.1 The permutation group and the states of a system of indistinguishable particles 1.2 Dimension of the Hilbert space of a system of…
We develop a semiclassical density functional theory in the context of quantum dots. Coulomb blockade conductance oscillations have been measured in several experiments using nanostructured quantum dots. The statistical properties of these…
Resolving the heavy fermion band in the conduction electron momentum resolved spectral function of the Kondo lattice model is challenging since, in the weak coupling limit, its spectral weight is exponentially small. In this article we…
We study the most general continuous transformation on the generators of bilinear master equations of a quantum oscillator. We find that transformation operators that preserve the hermiticity of density operators and conserve the…