New determination of structure parameters in strong field tunneling ionization theory of molecules

Abstract

In the strong field molecular tunneling ionization theory of Tong et al. [Phys. Rev. A 66, 033402 (2002)], the ionization rate depends on the asymptotic wavefunction of the molecular orbital from which the electron is removed. The orbital wavefunctions obtained from standard quantum chemistry packages in general are not good enough in the asymptotic region. Here we construct a one-electron model potential for several linear molecules using density functional theory (DFT). We show that the asymptotic wavefunction can be improved with an iteration method and after one iteration accurate asymptotic wavefunctions and structure parameters are determined. With the new parameters we examine the alignment-dependent tunneling ionization probabilities for several molecules and compare with other calculations and with recent measurements, including ionization from inner molecular orbitals.

References in corpus (7)

• Accurate retrieval of structural information from laser-induced photoelectron and high-harmonic spectra by few-cycle laser pulses
• Quantitative Rescattering Theory for high-order harmonic generation from molecules
• Quantitative rescattering theory for laser-induced high-energy plateau photoelectron spectra
• Attosecond control of electron dynamics in carbon monoxide
• One-Electron Ionization of Multielectron Systems in Strong Nonresonant Laser Fields
• Solving the m-mixing problem for the three-dimensional time-dependent Schrödinger equation by rotations: application to strong-field ionization of H2+
• Uncovering multiple orbitals influence in high harmonic generation from aligned N${}_2$

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