Angular Dependence of Ionization by Circularly Polarized Light Calculated with Time-Dependent Configuration Interaction with an Absorbing Potential

详细信息    查看全文

• 作者：Paul Hoerner ; H. Bernhard Schlegel
• 刊名：Journal of Physical Chemistry A
• 出版年：2017
• 出版时间：February 16, 2017
• 年：2017
• 卷：121
• 期：6
• 页码：1336-1343
• 全文大小：599K
• ISSN：1520-5215

文摘

The angular dependence of ionization by linear and circularly polarized light has been examined for N₂, NH₃, H₂O, CO₂, CH₂O, pyrazine, methyloxirane, and vinyloxirane. Time-dependent configuration interaction with single excitations and a complex absorbing potential was used to simulate ionization by a seven cycle 800 nm cosine squared pulse with intensities ranging from 0.56 × 10¹⁴ to 5.05 × 10¹⁴ W cm^–2. The shapes of the ionization yield for linearly polarized light can be understood primarily in terms of the nodal structure of the highest occupied orbitals. Depending on the orbital energies, ionization from lower-lying orbitals may also make significant contributions to the shapes. The shapes of the ionization yield for circularly polarized light can be readily explained in terms of the shapes for linearly polarized light. Averaging the results for linear polarization over orientations perpendicular to the direction of propagation yields shapes that are in very good agreement with direct calculations of the ionization yield by circularly polarized light.