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We present a new kind of basis function for discretizing the Schr\"odinger equation in electronic structure calculations, called a gausslet, which has wavelet-like features but is composed of a sum of Gaussians. Gausslets are placed on a…
We present a new method for the solution of the Schrodinger equation applicable to problems of non-perturbative nature. The method works by identifying three different scales in the problem, which then are treated independently: An…
We establish the existence of non-stationary solutions to a symmetric system of second-order autonomous differential equations. Our technique is based on the equivariant degree theory and involves a novel characterization of orbit types of…
Single particles moving in a reflection-asymmetric potential are investigated by solving the Schr\"{o}dinger equation of the reflection-asymmetric Nilsson Hamiltonian with the imaginary time method in 3D lattice space and the harmonic…
We use the mathematical toolbox of the inverse scattering transform to study quantitatively the number of solitons in far from equilibrium one-dimensional systems described by the defocusing nonlinear Schr{\"o}dinger equation. We present a…
Statistical modeling of a nonstationary spatial extremal dependence structure is challenging. Max-stable processes are common choices for modeling spatially-indexed block maxima, where an assumption of stationarity is usual to make…
The time-dependent one-dimensional nonlinear Schr\"odinger equation (NLSE) is solved numerically by a hybrid pseudospectral-variational quantum algorithm that connects a pseudospectral step for the Hamiltonian term with a variational step…
A Dyson map explicitly determines the appropriate basis of electromagnetic fields which yields a unitary representation of the Maxwell equations in an inhomogeneous medium. A qubit lattice algorithm (QLA) is then developed perturbatively to…
Electron density prediction stands as a cornerstone challenge in molecular systems, pivotal for various applications such as understanding molecular interactions and conducting precise quantum mechanical calculations. However, the scaling…
We present what we believe to be the first known example of an exact quasiperiodic localized stable solution with spatially symmetric large-amplitude oscillations in a non-integrable Hamiltonian lattice model. The model is a one-dimensional…
There is a growing interest in cylindrical structures of hard and soft particles. A promising new method to assemble such structures has recently been introduced by Lee et al. [T. Lee, K. Gizynski, and B. Grzybowski, Adv. Mater. 29, 1704274…
In this paper, we develop a novel primal-dual semismooth Newton method for solving linearly constrained multi-block convex composite optimization problems. First, a differentiable augmented Lagrangian (AL) function is constructed by…
We revisit the Fermi-Pasta-Ulam-Tsingou lattice (FPUT) with quadratic and cubic nonlinear interactions in the continuous limit by deducing the Gardner equation. Through the Hirota bilinear method, multi-soliton solutions are obtained for…
Inexpensive numerical methods are key to enable simulations of systems of a large number of particles of different shapes in Stokes flow. Several approximate methods have been introduced for this purpose. We study the accuracy of the…
A novel modified nonlinear Schr\"odinger equation is presented. Through a travelling wave ansatz, the equation is transformed into a nonlinear ODE which is then solved exactly and analytically. The soliton solution is characterised in terms…
We describe the application of the locally-self-consistent-multiple-scattering (LSMS)[1] method to amorphous alloys. The LSMS algorithm is optimized for the Intel XP/S-150, a multiple-instruction-multiple-data parallel computer with 1024…
The classical $S_n$ equations of Carlson and Lee have been a mainstay in multi-dimensional radiation transport calculations. In this paper, an alternative to the $S_n$ equations, the "Lagrange Discrete Ordinate" (LDO) equations are derived.…
We develop a linear method for solving the nonlinear differential equations of a lumped-parameter thermal model of a spacecraft moving in a closed orbit. Our method, based on perturbation theory, is compared with heuristic linearizations of…
In this paper, we design and analyze a Hybrid-High Order (HHO) approximation for a class of quasilinear elliptic problems of nonmonotone type. The proposed method has several advantages, for instance, it supports arbitrary order of…
Exact solutions to a nonlinear Schr{\"o}dinger lattice with a saturable nonlinearity are reported. For finite lattices we find two different standing-wave-like solutions, and for an infinite lattice we find a localized soliton-like…