Related papers: A Time-Dependent Random State Approach for Large-s…
We report an efficient quantum algorithm for estimating the local density of states (LDOS) on a quantum computer. The LDOS describes the redistribution of energy levels of a quantum system under the influence of a perturbation. Sometimes…
State-space models have been used in many applications, including econometrics, engineering, medical research, etc. The maximum likelihood estimation (MLE) of the static parameter of general state-space models is not straightforward because…
For the theoretical understanding of the reactivity of complex chemical systems accurate relative energies between intermediates and transition states are required. Despite its popularity, density functional theory (DFT) often fails to…
The ground state geometries of some small clusters have been obtained via ab initio molecular dynamical simulations by employing density based energy functionals. The approximate kinetic energy functionals that have been employed are the…
We consider the estimation of densities in multiple subpopulations, where the available sample size in each subpopulation greatly varies. This problem occurs in epidemiology, for example, where different diseases may share similar…
An efficient method for calculating the electronic structure in large systems with a fully converged BZ sampling is presented. The method is based on a k.p-like approximation developed in the framework of the density functional perturbation…
Statistical level density $\rho(E,A)$ is derived for nucleonic system with a given energy $E$, particle number $A$ and other integrals of motion in the micro-macroscopic approximation beyond the standard saddle-point method of the Fermi gas…
Paying attention to the difference of density of states, \Delta ln g(E) = ln g(E+\Delta E) - ln g(E), we study the convergence of the Wang-Landau method. We show that this quantity is a good estimator to discuss the errors of convergence,…
We discuss through multiple numerical examples the accuracy and efficiency of a micro-macro acceleration method for stiff stochastic differential equations (SDEs) with a time-scale separation between the fast microscopic dynamics and the…
Electronic states with fractional spins arise in systems with large static correlation (strongly correlated systems). Such fractional-spin states are shown to be ensembles of degenerate ground states with normal spins. It is proven here…
We address the problem of estimating unknown model parameters and state variables in stochastic reaction processes when only sparse and noisy measurements are available. Using an asymptotic system size expansion for the backward equation we…
We study the fermionic non-Gaussianity in typical quantum states, focusing on Haar random states of qubits with or without a global $U(1)$ symmetry. Using the Weingarten calculus, we derive analytical predictions for the non-Gaussianity,…
The practical success of density functional theory (DFT) is largely credited to the Kohn-Sham approach, which enables the exact calculation of the non-interacting electron kinetic energy via an auxiliary noninteracting system. Yet, the…
We present a unitary framework for dissipative quantum dynamics that can be efficiently applied to large-scale Fermi systems. The method introduces local Hermitian operators that emulate frictional forces while strictly preserving the…
We calculate numerically the quasiparticle effective mass (m*) renormalization as a function of temperature and electron density in two- and three-dimensional electron systems with long-range Coulomb interaction. In two dimensions, the…
We study the non-stationary Feller process with time varying coefficients. We obtain the exact probability distribution exemplified by its characteristic function and cumulants. In some particular cases we exactly invert the distribution…
Quantum state tomography is the problem of estimating a given quantum state. Usually, it is required to run the quantum experiment - state preparation, state evolution, measurement - several times to be able to estimate the output quantum…
The ability to emit and control single electrons in a dynamical manner enables their use in electron quantum optics and sensing. To characterize the electron states emitted with energy far above the Fermi energy, a dynamic barrier has been…
Fermion sampling is to generate probability distribution of a many-body Slater-determinant wavefunction, which is termed "determinantal point process" in statistical analysis. For its inherently-embedded Pauli exclusion principle, its…
The estimation of a density profile from experimental data points is a challenging problem, usually tackled by plotting a histogram. Prior assumptions on the nature of the density, from its smoothness to the specification of its form, allow…