Theoretical studies on tunneling ionizations from the doubly degenerate highest occupied molecular orbitals of benzene in intense laser fields

K Nagaya; H-F Lu; H Mineo; K Mishima; M Hayashi; S H Lin

doi:10.1063/1.2409294

Theoretical studies on tunneling ionizations from the doubly degenerate highest occupied molecular orbitals of benzene in intense laser fields

J Chem Phys. 2007 Jan 14;126(2):024304. doi: 10.1063/1.2409294.

Authors

K Nagaya¹, H-F Lu, H Mineo, K Mishima, M Hayashi, S H Lin

Affiliation

¹ Institute of Atomic and Molecular Sciences, Academia Sinica, P.O. Box 23-166, Taipei 106, Taiwan, Republic of China.

PMID: 17228951
DOI: 10.1063/1.2409294

Abstract

Combining our generalized Keldysh theory [Sov. Phys. JETP 20, 1307 (1965)] with the molecular orbital theory, the authors theoretically study tunneling ionizations of neutral benzene in intense linearly polarized Ti:sapphire laser fields (800 nm). They consider the ionizations from the highest occupied molecular orbitals (HOMOs) of the ground electronic state. The double degeneracy of the HOMOs is properly taken into account. In the theory, molecular ionizations consist of the individual ionizations from each atom and the quantum interferences between them. The theory reproduces the experimental data well. The authors also show that the polarization dependence of the ionization rates is strongly influenced by the quantum interferences.