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Direct Imaging of Laser-driven Ultrafast Molecular Rotation

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Application of Coulomb wave function discrete variable representation to atomic systems in strong laser fields.

Liang-You Peng¹, Anthony F Starace

¹Department of Physics and Astronomy, The University of Nebraska-Lincoln, Nebraska 68588-0111, USA. lypeng@unlserve.unl.edu

The Journal of Chemical Physics

|October 25, 2006

Summary

A new Coulomb wave function discrete variable representation (CWDVR) grid method efficiently solves the time-dependent Schrodinger equation for atomic systems interacting with intense laser fields, improving ionization dynamics calculations.

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Area of Science:

Atomic Physics
Quantum Mechanics
Computational Chemistry

Background:

Solving the time-dependent Schrodinger equation is crucial for understanding atomic systems interacting with intense laser fields.
Traditional finite difference (FD) methods face challenges with accuracy and computational cost, especially for ionization dynamics.

Purpose of the Study:

To present an efficient and accurate grid method for solving the time-dependent Schrodinger equation for atomic systems under intense laser fields.
To improve the description of ionization dynamics by utilizing a novel discretization technique.

Main Methods:

The Coulomb wave function discrete variable representation (CWDVR) method is employed for radial coordinate discretization, offering advantages over the finite difference (FD) method.
The CWDVR method uses unevenly distributed grid points, with finer resolution near the origin, accurately handling Coulomb singularities and continuum wave functions.
Time propagation is performed using the Arnoldi method.

Main Results:

The CWDVR method requires three to ten times fewer grid points compared to the FD method for accurate ionization dynamics.
Calculated ionization rates for the H atom and H(-) ion in intense laser fields show excellent agreement with existing accurate theoretical results.
The method was also applied to investigate the excitation and ionization dynamics of H under a static electric field.

Conclusions:

The CWDVR method provides an efficient and accurate approach for studying atomic systems interacting with intense laser fields.
This method offers significant advantages in terms of grid point requirements and accuracy for describing ionization dynamics.
The findings validate the CWDVR method as a powerful tool for theoretical atomic physics research.