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The One-Dimensional Soft-Coulomb Problem and the Hard-Coulomb Limit

TLDR
The numerical results provide insight into the controversial one-dimensional hydrogen atom, which is a limiting case of the soft Coulomb problem as β → 0, using 16-digit precision calculations.
Abstract
An efficient way of evolving a solution to an ordinary differential equation is presented. A finite element method is used where we expand in a convenient local basis set of functions that enforce both function and first derivative continuity across the boundaries of each element. We also implement an adaptive step-size choice for each element that is based on a Taylor series expansion. This algorithm is used to solve for the eigenpairs corresponding to the one-dimensional soft Coulomb potential, 1/sqrt[x(2)+β(2)], which becomes numerically intractable (because of extreme stiffness) as the softening parameter (β) approaches zero. We are able to maintain near machine accuracy for β as low as β = 10(-8) using 16-digit precision calculations. Our numerical results provide insight into the controversial one-dimensional hydrogen atom, which is a limiting case of the soft Coulomb problem as β → 0.

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Citations
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Journal ArticleDOI

One-dimensional hydrogen atom

TL;DR: The theory of the one-dimensional (1D) hydrogen atom was initiated by a 1952 paper but, after more than 60 years, it remains a topic of debate and controversy as discussed by the authors.
Journal ArticleDOI

One Dimensional Mimicking of Electronic Structure: The Case for Exponentials

TL;DR: In this paper, an exponential Coulomb interaction is constructed so that one-dimensional atoms and chains of atoms mimic the general behavior of their three-dimensional counterparts, and the exponential greatly diminishes the computational time needed for calculating highly accurate quantities with the density matrix renormalization group.
Journal ArticleDOI

Density-Matrix Coupled Time-Dependent Exchange-Correlation Functional Approximations

TL;DR: In this article, a new class of nonadiabatic approximations in time-dependent density functional theory derived from an exact expression for the timedependent exchange-correlation potential is presented.
Journal ArticleDOI

A Distributional Approach for the One-Dimensional Hydrogen Atom

TL;DR: In this article, the Coulomb interaction with the one-dimensional Hydrogen atom was considered, and a well defined interaction distribution was defined up to a 4-parameter family of contact interactions, in agreement with the method of self-adjoint extensions.
Journal ArticleDOI

Orbital-dependent Electron-Hole Interaction in Graphene and Associated Multi-Layer Structures.

TL;DR: An orbital-dependent potential is developed to describe electron-hole interaction in materials with structural 2D character, i.e. quasi-2D materials and the analysis of non-hydrogenic exciton spectrum in quasi- 2D systems clearly demonstrates the remarkable comparable contribution of orbital dependent potential with respect to non-local screening process.
References
More filters
Journal ArticleDOI

One-dimensional hydrogen atom

TL;DR: The theory of the one-dimensional (1D) hydrogen atom was initiated by a 1952 paper but, after more than 60 years, it remains a topic of debate and controversy as discussed by the authors.
Journal ArticleDOI

One Dimensional Mimicking of Electronic Structure: The Case for Exponentials

TL;DR: In this paper, an exponential Coulomb interaction is constructed so that one-dimensional atoms and chains of atoms mimic the general behavior of their three-dimensional counterparts, and the exponential greatly diminishes the computational time needed for calculating highly accurate quantities with the density matrix renormalization group.
Journal ArticleDOI

Density-Matrix Coupled Time-Dependent Exchange-Correlation Functional Approximations

TL;DR: In this article, a new class of nonadiabatic approximations in time-dependent density functional theory derived from an exact expression for the timedependent exchange-correlation potential is presented.
Journal ArticleDOI

A Distributional Approach for the One-Dimensional Hydrogen Atom

TL;DR: In this article, the Coulomb interaction with the one-dimensional Hydrogen atom was considered, and a well defined interaction distribution was defined up to a 4-parameter family of contact interactions, in agreement with the method of self-adjoint extensions.
Journal ArticleDOI

Orbital-dependent Electron-Hole Interaction in Graphene and Associated Multi-Layer Structures.

TL;DR: An orbital-dependent potential is developed to describe electron-hole interaction in materials with structural 2D character, i.e. quasi-2D materials and the analysis of non-hydrogenic exciton spectrum in quasi- 2D systems clearly demonstrates the remarkable comparable contribution of orbital dependent potential with respect to non-local screening process.