Exchange energy in a double-well potential profile from fluctuation theory

Abstract

Articles you may be interested inOn a solution of the Schrödinger equation with a hyperbolic double-well potential Helium mediated deposition: Modeling the He−TiO2(110)-(1×1) interaction potential and application to the collision of a helium droplet from density functional calculations Quantum Monte Carlo calculations of the potential energy curve of the helium dimer This article shows that the asymptotic quantum mechanical exchange energies and wave functions in a bistable potential can be obtained by computing the complex-valued first-passage time across the potential barrier from a transient state endowed with Smoluchowski boundary conditions, whose probability density is concentrated on one side of the barrier. This interpretation is validated by one of the authors' previous work on diffusion in a random field, showing that this model yields a diffusion equation equivalent to quantum mechanical equations.

Asymptotically exact calculation of the exchange energies of one-active-electron diatomic ions with the surface integral method

“…Most of the past results concerned H + 2 among which are the results from [9]. They can be generalized to more complicated diatomic systems.…”