Related papers: Marching toward the eigenvalues: The Canonical Fun…
The Wave Function Matching (WFM) technique has recently been developed for the calculation of electronic transport in quantum two-probe systems. In terms of efficiency it is comparable with the widely used Green's function approach. The WFM…
We present a manifestly covariant quantization procedure based on the de Donder--Weyl Hamiltonian formulation of classical field theory. This procedure agrees with conventional canonical quantization only if the parameter space is $d=1$…
We review recent progress in the fractional Calder\'on problem, where one tries to determine an unknown coefficient in a fractional Schr\"odinger equation from exterior measurements of solutions. This equation enjoys remarkable uniqueness…
We proposed a distributed approximating functional method for efficiently describing the electronic dynamics in atoms and molecules in the presence of the Coulomb singularities, using the kernel of a grid representation derived by using the…
In this paper we focus on efficient implementations of the Multivariate Decomposition Method (MDM) for approximating integrals of $\infty$-variate functions. Such $\infty$-variate integrals occur for example as expectations in uncertainty…
Combining classical density functional theory (cDFT) with quantum mechanics (QM) methods offers a computationally efficient alternative to traditional QM/molecular mechanics (MM) approaches for modeling mixed quantum-classical systems at…
The canonical partition function is related to the grand canonical one through the fugacity expansion and is known to have no sign problem. In this paper we perform the fugacity expansion by a method of the hopping parameter expansion in…
A novel scheme to solve the quantum eigenvalue problem through the imaginary-time Green function Monte Carlo method is presented. This method is applicable to the excited states as well as to the ground state of a generic system. We…
A detailed canonical treatment of a new action for a nonrelativistic particle coupled to background gravity, recently given by us, is performed both in the Lagrangian and Hamiltonian formulations. The equation of motion is shown to satisfy…
The random feature method (RFM) has demonstrated great potential in bridging traditional numerical methods and machine learning techniques for solving partial differential equations (PDEs). It retains the advantages of mesh-free approaches…
We represent low dimensional quantum mechanical Hamiltonians by moderately sized finite matrices that reproduce the lowest O(10) boundstate energies and wave functions to machine precision. The method extends also to Hamiltonians that are…
Solutions of quaternionic quantum mechanics (QQM) are difficult to grasp, even in simple physical situations. In this article, we provide simple and understandable free particle quaternionic solutions, that can be easily compared to complex…
Polymomentum canonical theories, which are manifestly covariant multi-parameter generalizations of the Hamiltonian formalism to field theory, are considered as a possible basis of quantization. We arrive at a multi-parameter hypercomplex…
We propose an efficient algorithm for solving orthogonal canonical correlation analysis (OCCA) in the form of trace-fractional structure and orthogonal linear projections. Even though orthogonality has been widely used and proved to be a…
The Helmholtz equation arises in many applications, such as seismic and medical imaging. These application are characterized by the need to propagate many wavelengths through an inhomogeneous medium. The typical size of the problems in 3D…
A numerical matrix methodology is applied to quantum problems with periodic potentials. The procedure consists essentially in replacing the true potential by an alternative one, restricted by an infinite square well, and in expressing the…
A central aim of multiscale modeling is to use results from the Schr\"odinger Equation to predict phenomenology on length scales that far exceed those of typical molecular correlations. In this work, we present a new approach rooted in…
In this paper it is shown how to solve numerically eigenvalue problems associated to second order linear ordinary differential equations, containing also terms which depend on the variable. A didactic presentation of the Numerov Method is…
In this work, an effective numerical method is developed to solve a class of singular boundary value problems arising in various physical models by using the improved differential transform method (IDTM). The IDTM applies the Adomian…
A Lagrangian-type numerical scheme called the "comoving mesh method" or CMM is developed for numerically solving certain classes of moving boundary problems which include, for example, the classical Hele-Shaw flow problem and the well-known…