Related papers: Mixed Semiclassical Initial Value Representation T…
This paper introduces a boundary integral equation for time-harmonic electromagnetic scattering by composite dielectric objects. The formulation extends the classical M\"uller equation to composite structures through the global multi-trace…
Mixed quantum-classical dynamics is a set of methods often used to understand systems too complex to treat fully quantum mechanically. Many techniques exist for full quantum mechanical evolution on quantum computers, but mixed…
The generalized pseudospectral method is employed for the accurate calculation of eigenvalues, densities and expectation values for the spiked harmonic oscillators. This allows \emph{nonuniform} and \emph{optimal} spatial discretization of…
Within the framework of probability distributions on projective Hilbert space a scheme for the calculation of multitime correlation functions is developed. The starting point is the Markovian stochastic wave function description of an open…
Multiscale problems are computationally costly to solve by direct simulation because the smallest scales must be represented over a domain determined by the largest scales of the problem. We have developed and analyzed new numerical methods…
We present a new version of the truncated harmonic mean estimator (THAMES) for univariate or multivariate mixture models. The estimator computes the marginal likelihood from Markov chain Monte Carlo (MCMC) samples, is consistent,…
In this and subsequent paper arXiv:1011.5185 we develop a recursive approach for calculating the short-time expansion of the propagator for a general quantum system in a time-dependent potential to orders that have not yet been accessible…
In this paper we use a Variational Quantum Algorithm to solve Initial Value Problems with the Implicit Crank-Nicolson and the Method of Lines (MoL) evolution schemes. The unknown functions use a spectral decomposition with the Fourier…
In a mixed generalized linear model, the goal is to learn multiple signals from unlabeled observations: each sample comes from exactly one signal, but it is not known which one. We consider the prototypical problem of estimating two…
We propose an accurate and efficient method to compute vibrational spectra of molecules, based on exact diagonalization of an algebraically calculated matrix based on powers of Morse coordinate. The present work focuses on the 1D potential…
Complex biological processes are usually experimented along time among a collection of individuals. Longitudinal data are then available and the statistical challenge is to better understand the underlying biological mechanisms. The…
The semiclassical formula for the quantum propagator in the coherent state representation $<\mathbf{z}'' | e^{-i\hat{H}T/\hbar} | \mathbf{z}'>$ is not free from the problem of caustics. These are singular points along the complex classical…
By considering an empirical approximation, and a new class of operators that we will call walking operators, we construct, for any positive ND-toeplitz matrix, an infinite in all dimensions matrix, for which the inverse approximates the…
In this article, a class of Fourier Integral Operators which converge to the unitary group of the Schr\"odinger equation in semiclassical limit $\epsilon\to 0$ is constructed. The convergence is in the uniform operator norm and allows for a…
Model predictive control (MPC) is a promising technique for motion cueing in driving simulators, but its high computation time limits widespread real-time application. This paper proposes a hybrid algorithm that combines filter-based and…
In this paper we study propagation of the high frequency electromagnetic waves in a curved spacetime. We discuss a so call spinoptics approach which generalizes a well known geometric optics approximation and allows one to take into account…
Semiclassical approximations for quantum dynamic simulations in complex chemical systems range from rigorously accurate methods that are computationally expensive to methods that exhibit near-classical scaling with system size but are…
Semiclassical Mechanics allows for a description of quantum systems which preserves their phase information, while using only the system's classical dynamics as an input. Over the time an identification has been developed between stationary…
Given a basic compact semi-algebraic set $\K\subset\R^n$, we introduce a methodology that generates a sequence converging to the volume of $\K$. This sequence is obtained from optimal values of a hierarchy of either semidefinite or linear…
Semiclassical calculations using the Herman-Kluk initial value treatment are performed to determine energy eigenvalues of bound and resonance states of the collinear helium atom. Both the $eZe$ configuration (where the classical motion is…