Related papers: An ab-initio converse NMR approach for pseudopoten…
The gradual insertion method for direct calculation of the chemical potential by molecular simulation is applied in the NpT ensemble to different quadrupolar two-centre Lennard-Jones fluids at high density state points. The results agree…
We present a new realization of relativistic hadronic me- chanics and its underlying iso-Poincar'e symmetry specifically constructed for nuclear physics which: 1) permits the representation of nucleons as ex- tended, nonspherical and…
We focus here on a class of fourth-order parabolic equations that can be written as a system of second-order equations by introducing an auxiliary variable. We design a novel second-order fully discrete mixed finite element method to…
Low-rank pseudoinverses are widely used to approximate matrix inverses in scalable machine learning, optimization, and scientific computing. However, real-world matrices are often observed with noise, arising from sampling, sketching, and…
Neural Network-based Quantum Monte Carlo (NNQMC), an emerging method for solving many-body quantum systems with high accuracy, has been limitedly applied to small systems due to demanding computation requirements. In this work, we introduce…
A concept of a family of unique backward-wave photonic devices, such as frequency up and down converting nonlinear-optical mirrors, sensors, modulators, filters and amplifiers is proposed. Novel materials are considered, which support…
The focus of this book is on the analysis of regularization methods for solving \emph{nonlinear inverse problems}. Specifically, we place a strong emphasis on techniques that incorporate supervised or unsupervised data derived from prior…
Reverse order law for the Moore-Penrose inverses of tensors are useful in the field of multilinear algebra. In this paper, we first prove some more identities involving the Moore-Penrose inverse of tensors. We then obtain a few necessary…
Advantage is taken of the arbitrariness in energy reference to consider anew integral transcriptions of Schrodinger's equation in the presence of potentials which at infinity acquire constant, nonvanishing values. It is found possible to…
This paper presents new variants of the averaged alternating modified reflections (AAMR) method for the best approximation problem. Under a mild constraint qualification, we first show its weak convergence and then establish a convergence…
A recently proposed renormalization group approach to dimensional crossover in quasi-one-dimensional quantum antiferromagnets is improved and then shown to give identical results, in some cases, to those obtained earlier.
This work belongs to the framework of inverse problems with linear model. The resolution of this type of problem consists in minimizing (possibly under constraints) a function of discrepancy between the measurements and a physical model of…
We present a method to reconstruct the dielectric susceptibility (scattering potential) of an inhomogeneous scattering medium, based on the solution to the inverse scattering problem with internal sources. We employ the theory of…
A recently proposed reference potential approach to the inverse Schr\"{o}dinger problem is further developed. As previously, theoretical developments are demonstrated on example of diatomic xenon molecule in its ground electronic state. An…
In this paper, we study an adaptive finite element method for a class of a nonlinear eigenvalue problems that may be of nonconvex energy functional and consider its applications to quantum chemistry. We prove the convergence of adaptive…
We generalize the Wedderburn rank reduction formula by replacing the inverse with the Moore--Penrose pseudoinverse. In particular, this allows one to remove the non--singularity of a certain matrix from assumptions. The results implies in a…
Missing transverse momentum is a crucial observable for physics at hadron colliders, being the only constraint on the kinematics of "invisible" objects such as neutrinos and hypothetical dark matter particles. Computing missing transverse…
We introduce an approach to determining the required waveforms to coherently control the optical energy localization in plasmonic nanosystems. This approach is based on the impulsive localized excitation of the nanosystem and time reversal…
A scheme is developed for creating pseudopotentials for use in correlated-electron calculations. Pseudopotentials for the light elements H, Li, Be, B, C, N, O, and F, are reported, based on data from high-level quantum chemical…
In this paper, a new model is proposed for the inverse random source scattering problem of the Helmholtz equation with attenuation. The source is assumed to be driven by a fractional Gaussian field whose covariance is represented by a…