相关论文: A simple local expression for the prefactor in tra…

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…

The problem of estimating the frequency of a two-level atom in a noisy environment is studied. Our interest is to minimise both the energetic cost of the protocol and the statistical uncertainty of the estimate. In particular, we prepare a…

The dynamics of power grids are governed by a large number of nonlinear differential and algebraic equations (DAEs). To safely operate the system, operators need to check that the states described by these DAEs stay within prescribed limits…

This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…

This paper addresses the estimation of fractional delay and Doppler shifts in multipath channels that cause doubly selective fading-an essential task for integrated sensing and communication (ISAC) systems in high-mobility environments.…

We exploit the impact of exact frequency modulation on transition time of steering nuclear spin states from theoretical point of view. 1-stage and 2-stage Frequency-Amplitude-Phase modulation (FAPM) algorithms are proposed in contrast with…

We describe an efficient Monte Carlo algorithm using a random walk in energy space to obtain a very accurate estimate of the density of states for classical statistical models. The density of states is modified at each step when the energy…

We present an accurate and efficient formulation for the calculation of phonons in real-space Kohn-Sham density functional theory. Specifically, employing a local exchange-correlation functional, norm-conserving pseudopotential in the…

Monte Carlo switching moves ("perturbations") are defined between two or more classical Hamiltonians sharing a common ground-state energy. The ratio of the density of states (DOS) of one system to that of another is related to the ensemble…

We study theoretically phonon-assisted relaxation processes in a system consisting of one or two electrons confined in two vertically stacked self-assembled quantum dots. The calculation is based on a k.p approximation for single particle…

The knowledge of a series expansion of the equation of state provides a deep insight into the physical nature of a quantum system. Starting from a generic ``perturbative'' equation of state of a homogeneous ultracold gas we make predictions…

We calculate the phonon density of states (DOS) for strongly amorphous materials with a short-ranged interatomic potential. Exponentially decaying and abruptly truncated interatomic potentials are examined. Thermally excited mean square…

We use a hybrid strategy to obtain anharmonic frequency shifts and lifetimes of phonon quasi-particles from first principles molecular dynamics simulations in modest size supercells. This approach is effective irrespective of crystal…

One-dimensional multi-component Fermi or Bose systems with strong zero-range interactions can be described in terms of local exchange coefficients and mapping the problem into a spin model is thus possible. For arbitrary external confining…

We provide a brief overview of approaches for calculating the density of states of quantum systems and random matrix Hamiltonians using the tools of free probability theory. For a given Hamiltonian of a quantum system or a generic random…

We introduce a new method to calculate Franck-Condon factors in polyatomic molecules that is based on the tomographic probability approach to quantum mechanics. This approach is implemented to calculate transition probabilities in various…

We have generated an open-source dataset of over 30000 organic chemistry gas phase partition functions. With this data, a machine learning deep neural network estimator was trained to predict partition functions of unknown organic chemistry…

This letter proposes an analytical approach to formulate the power system oscillation frequency under a large disturbance. A fact is revealed that the oscillation frequency is only the function of the oscillation amplitude when the system's…

The fractional Fourier transform (FrFT), a fundamental operation in physics that corresponds to a rotation of phase space by any angle, is also an indispensable tool employed in digital signal processing for noise reduction. Processing of…

With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…