ADK理論應用在H2+上的游離率計算

Abstract

本文的主旨在計算H2+離子以及H2分子在直流電場作用下而游離的游離率。原子及分子因電場而游離是原子物理中很常被討論的題目，因而陸續產生了ADK以及MO-ADK理論。本文模仿MO-ADK的過程，但是採用較簡單的LCAO分子軌域近似法來求電子在遠離分子核心處的波函數行為，進而計算出分子的游離率。結尾則討論了LCAO法的優缺點。

The main purpose of this paper is to calculate the ionization rates of H2+ and H2 under DC field. The ionization of atoms and molecules by electric field is often discussed in atomic physics domain, then the ADK and MO-ADK theories were produced to solve this problem.

In this paper, we follow the similar procedure of MO-ADK method, but use LCAO method to get the asymptotic wave function at large distance, then calculate the ionization rate from LCAO wave function. In the end, we discussed the advantage and disadvantages of LCAO method.