Related papers: Very-high-precision solutions of a class of Schr{\…
We demonstrate that it is possible to compute wave function normalization constants for a class of Schr\"odinger type equations by an algorithm which scales linearly (in the number of eigenfunction evaluations) with the desired precision P…
A subroutine for very-high-precision numerical solution of a class of ordinary differential equations is provided. For given evaluation point and equation parameters the memory requirement scales linearly with precision $P$, and the number…
We develop a high accuracy power series method for solving partial differential equations with emphasis on the nonlinear Schr\"odinger equations. The accuracy and computing speed can be systematically and arbitrarily increased to orders of…
When a system of first order linear ordinary differential equations has eigenvalues of large magnitude, its solutions exhibit complicated behaviour, such as high-frequency oscillations, rapid growth or rapid decay. The cost of representing…
We propose an algorithm for quickly evaluating polynomials. It pre-conditions a complex polynomial $P$ of degree $d$ in time $O(d\log d)$, with a low multiplicative constant independent of the precision. Subsequent evaluations of $P$…
The history of research on eigenvalue problems is rich with many outstanding contributions. Nonetheless, the rapidly increasing size of data sets requires new algorithms for old problems in the context of extremely large matrix dimensions.…
A new method of solution to the local spin density approximation to the electronic Schr\"{o}dinger equation is presented. The method is based on an efficient, parallel, adaptive multigrid eigenvalue solver. It is shown that adaptivity is…
This paper describes a new numerical method for solving eigenstate problems, such as time-independent Schrodinger equation. The idea is to use the first order perturbation theory to rewrite the eigenvalue problem as a system of first order…
The Schr\"odinger eigenvalue problem is solved with the imaginary time propagation technique. The separability of the Hamiltonian makes the problem suitable for the application of splitting methods. High order fractional time steps of order…
Accurate computation of multiple eigenvalues of quantum Hamiltonians is essential in quantum chemistry, materials science, and molecular spectroscopy. Estimating excited-state energies is challenging for classical algorithms due to…
In this article we are interested for the numerical study of nonlinear eigenvalue problems. We begin with a review of theoretical results obtained by functional analysis methods, especially for the Schrodinger pencils. Some recall are given…
In this article, we describe an implementation of a polynomial system solver to compute the approximate solutions of a 0-dimensional polynomial system with finite precision p-adic arithmetic. We also describe an improvement to an algorithm…
In this paper we propose fast solution methods for the Cauchy problem for the multidimensional Schr\"odinger equation. Our approach is based on the approximation of the data by the basis functions introduced in the theory of approximate…
A new method for solving numerically stochastic partial differential equations (SPDEs) with multiple scales is presented. The method combines a spectral method with the heterogeneous multiscale method (HMM) presented in [W. E, D. Liu, and…
We present a novel deep learning method for computing eigenvalues of the fractional Schr\"odinger operator. Our approach combines a newly developed loss function with an innovative neural network architecture that incorporates prior…
We present a family of algorithms for the numerical approximation of the Schr\"odinger equation with potential concentrated at a finite set of points. Our methods belong to the so-called fast and oblivious convolution quadrature algorithms.…
The Schur decomposition of a square matrix $A$ is an important intermediate step of state-of-the-art numerical algorithms for addressing eigenvalue problems, matrix functions, and matrix equations. This work is concerned with the following…
Mahler equations relate evaluations of the same function $f$ at iterated $b$th powers of the variable. They arise in particular in the study of automatic sequences and in the complexity analysis of divide-and-conquer algorithms. Recently,…
We introduce and analyze a family of heterogeneous multiscale methods for the numerical integration of highly oscillatory systems of delay differential equations with constant delays. The methodology suggested provides algorithms of…
A new numerical treatment in the Crank-Nicholson method with the imaginary time evolution operator is presented in order to solve the Schr\"{o}dinger equation. The original time evolution technique is extended to a new operator that…