Ultrafast Molecular Imaging by Laser Induced Electron Diffraction

TL;DR

This paper demonstrates that laser induced electron diffraction can image molecular geometry and orbitals of polyatomic molecules on an attosecond timescale with high accuracy, using numerical simulations of CO2.

Contribution

It provides a numerical analysis showing LIED's capability to accurately determine molecular structures and orbital features in polyatomic molecules.

Findings

Molecular geometry can be determined within 3% accuracy.

Diffraction patterns reflect orbital nodal properties.

Method is robust against vibrational and rotational motions.

Abstract

We address the feasibility of imaging geometric and orbital structure of a polyatomic molecule on an attosecond time-scale using the laser induced electron diffraction (LIED) technique. We present numerical results for the highest molecular orbitals of the CO2 molecule excited by a near infrared few-cycle laser pulse. The molecular geometry (bond-lengths) is determined within 3% of accuracy from a diffraction pattern which also reflects the nodal properties of the initial molecular orbital. Robustness of the structure determination is discussed with respect to vibrational and rotational motions with a complete interpretation of the laser-induced mechanisms.