期刊
PHYSICAL REVIEW A
卷 90, 期 1, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.90.012506
关键词
-
资金
- European Research Council under the European Union [290853]
- European COST Action [CM1204 XLIC]
- MICINN [FIS2010-15127]
As a first step towards meeting the recent demand for new computational tools capable of reproducing molecular-ionization continua in a wide energy range, we introduce a hybrid Gaussian-B-spline basis (GABS) that combines short-range Gaussian functions, compatible with standard quantum-chemistry computational codes, with B splines, a basis appropriate to represent electronic continua. We illustrate the performance of the GABS hybrid basis for the hydrogen atom by solving both the time-independent and the time-dependent Schrodinger equation for a few representative cases. The results are in excellent agreement with those obtained with a purely B-spline basis, with analytical results, when available, and with recent above-threshold ionization spectra from the literature. In the latter case, we report fully differential photoelectron distributions which offer further insight into the process of above-threshold ionization at different wavelengths.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据