M. Nolan | Searcharxiv

arXiv2009

Generalizations of the Brachistochrone Problem

Consider a frictionless surface S in a gravitational field that need not be uniform. Given two points A and B on S, what curve is traced out by a particle that starts at A and reaches B in the shortest time? This paper considers this problem on simple surfaces such as surfaces of revolution and solves the problem two ways: First, we use conservation of mechanical energy and the Euler-Lagange equation; second, we use geometrical optics and the eikonal equation. We conclude with a discussion of the relativistic effects at relativistic velocities.

math-ph↗

arXiv2001

Impact of Electron-Electron Cusp on Configuration Interaction Energies

The effect of the electron-electron cusp on the convergence of configuration interaction (CI) wave functions is examined. By analogy with the pseudopotential approach for electron-ion interactions, an effective electron-electron interaction is developed which closely reproduces the scattering of the Coulomb interaction but is smooth and finite at zero electron-electron separation. The exact many-electron wave function for this smooth effective interaction has no cusp at zero electron-electron separation. We perform CI and quantum Monte Carlo calculations for He and Be atoms, both with the Coulomb electron-electron interaction and with the smooth effective electron-electron interaction. We find that convergence of the CI expansion of the wave function for the smooth electron-electron interaction is not significantly improved compared with that for the divergent Coulomb interaction for energy differences on the order of 1 mHartree. This shows that, contrary to popular belief, description of the electron-electron cusp is not a limiting factor, to within chemical accuracy, for CI calculations.

cond-mat.str-el↗