Extracting Structure Parameters of Dimers for Molecular Tunneling Ionization Model

We determine structure parameters of the highest occupied molecular orbital（HOMO） of 27 dimers for the molecular tunneling ionization（so called MO-ADK） model of Tong et al.[Phys.Rev.A 66（2002） 033402].The molecular wave functions with correct asymptotic behavior are obtained by solving the time-inde...

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Bibliographic Details
Published in:Communications in theoretical physics 2016-03, Vol.65 (3), p.366-374, Article 366
Main Author: 赵松峰 黄方 王国利 周效信
Format: Article
Language:English
Subjects:
Ionization
Mathematical analysis
Mathematical models
Molecular orbitals
Molecular structure
Molybdenum
Schroedinger equation
Tunneling
t模型
二聚体
分子轨道
双原子分子
定态薛定谔方程
提取
结构参数
隧道电离
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Summary:We determine structure parameters of the highest occupied molecular orbital（HOMO） of 27 dimers for the molecular tunneling ionization（so called MO-ADK） model of Tong et al.[Phys.Rev.A 66（2002） 033402].The molecular wave functions with correct asymptotic behavior are obtained by solving the time-independent Schr（o｜¨）dinger equation with B-spline functions and molecular potentials which are numerically created using the density functional theory.We examine the alignment-dependent tunneling ionization probabilities from MO-ADK model for several molecules by comparing with the molecular strong-field approximation（MO-SFA） calculations.We show the molecular PerelomovPopov-Terent＇ev（MO-PPT） can successfully give the laser wavelength dependence of ionization rates（or probabilities）.Based on the MO-PPT model,two diatomic molecules having valence orbital with antibonding systems（i.e.,Cl_2,Ne_2）show strong ionization suppression when compared with their corresponding closest companion atoms.
ISSN:0253-6102
1572-9494
DOI:10.1088/0253-6102/65/3/366