Microcanonical distribution for one-electron triatomic molecules

TL;DR

This paper develops a microcanonical distribution model for one-electron triatomic molecules, aiding the initial state description in semiclassical models of two-electron molecules under intense laser fields.

Contribution

It introduces a novel microcanonical distribution for one-electron triatomic molecules, enhancing initial state modeling in strong-field ionization simulations.

Findings

Provides a mathematical formulation for the distribution.

Applicable to initial state modeling in laser-driven ionization.

Facilitates improved semiclassical simulations of two-electron molecules.

Abstract

We formulate a microcanonical distribution for an arbitrary one-electron triatomic molecule. This distribution can be used to describe the initial state in strongly-driven two-electron triatomic molecules. Namely, in many semiclassical models that describe ionization of two-electron molecules driven by intense infrared laser fields in the tunneling regime initially one electron tunnels while the other electron is bound. The microcanonical distribution presented in this work can be used to describe the initial state of this bound electron.