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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Published inCommunications in theoretical physics Vol. 65; no. 3; pp. 366 - 374
Main Author 赵松峰 黄方 王国利 周效信
Format Journal Article
LanguageEnglish
Published 01.03.2016
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
Online AccessGet full text
ISSN0253-6102
1572-9494
DOI10.1088/0253-6102/65/3/366

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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.
Bibliography: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.
Song-Feng Zhao,Fang Huang,Guo-Li Wang,Xiao-Xin Zhou（ College of Physics and Electronic Engineering, Northwest Normal University, Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, Lanzhou 730070, China）
11-2592/O3
molecular structure parameters; molecular ADK model; molecular PPT model; ionization suppression
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ISSN:0253-6102
1572-9494
DOI:10.1088/0253-6102/65/3/366