Related papers: Designed nonlocal pseudopotentials for enhanced tr…
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…
The generalized pseudopotential theory (GPT) is a powerful method for deriving real-space transferable interatomic potentials. Using a coarse-grained electronic structure, one can explicitly calculate the pair ion-ion and multi-ion…
Atomic effective pseudopotentials enable atomistic calculations at the level of accuracy of density functional theory for semiconductor nanostructures with up to fifty thousand atoms. Since they are directly derived from ab-initio…
The transcorrelated (TC) method performs a similarity transformation on the electronic Schr\"odinger equation via Jastrow factorization of the wave function. This has demonstrated significant advancements in computational electronic…
We analyze the conclusions of the influence of a Coulomb-type potential on the Klein-Gordon oscillator. We show that the truncation method proposed by the authors do not yield all the eigenvalues of the radial equation but just one of them…
Depending on the way one measures, quantum nonlocality might manifest more visibly. Using basis transformations and interactions on a particle pair, Hardy logically argued that any local hidden variable theory leads to a paradox. Extended…
This paper contains a collection of essays on nonlocal phenomena in quantum field theory, gravity and cosmology. Mechanisms of nonlocal contributions to the quantum effective action are discussed within the covariant perturbation expansion…
In this paper, a unified nonlocal rational continuum enrichment technique is presented for improving the dispersive characteristics of some well known classical continuum equations on the basis of atomistic dispersion relations. This type…
According to Bell's theorem, any model based on local variables cannot reproduce certain quantum correlations. A critical question is whether one could devise an alternative framework, based on nonlocal variables, to reproduce quantum…
The newly developed machine learning (ML) empirical pseudopotential (EP) method overcomes the poor transferability of the traditional EP method with the help of ML techniques while preserving its formal simplicity and computational…
Effectively handling the nonlocal pseudo-differential term plays an impor?tant role in solving the Wigner equation with high accuracy. This paper systematically analyzes and compares numerical treatments of the pseudo-differential term…
In designing and optimizing new-generation nanomaterials and related quantum devices, dissipation versus decoherence phenomena are often accounted for via local scattering models, such as relaxation-time and Boltzmann-like schemes. Here we…
Semi-local density functionals for the exchange-correlation energy of electrons are extensively used as it produce realistic and accurate results for finite and extended systems. The choice of techniques play crucial role in constructing…
Highly accurate experimental structure factors of silicon are available in the literature, and these provide the ideal test for any \emph{ab initio} method for the construction of the all-electron charge density. In a recent paper [J. R.…
The recently introduced scheme [20,21] is extended to propose an algebraic non-perturbative approach for the analytical treatment of Schr\"odinger equations with non-solvable potentials involving an exactly solvable potential form together…
We construct integrable pseudopotentials with an arbitrary number of fields in terms of elliptic generalization of hypergeometric functions in several variables. These pseudopotentials yield some integrable (2+1)-dimensional hydrodynamic…
The pseudopotential and free energy models are two popular extensions of the lattice Boltzmann method for multiphase flows. Until now, they have been developed apart from each other in the literature. However, important questions about…
Pseudo-Newtonian potentials are a tool often used in theoretical astrophysics to capture some key features of a black-hole space-time in a Newtonian framework. As a result, one can use Newtonian numerical codes, and Newtonian formalism in…
A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…
A comprehensive description of all single-particle properties associated with the nucleus ${}^{40}$Ca has been generated by employing a nonlocal dispersive optical potential capable of simultaneously reproducing all relevant data above and…