Photoabsorption spectra in the continuum of molecules and atomic clusters
Chemical Physics
2016-09-08 v1 Nuclear Theory
Atomic and Molecular Clusters
Abstract
We present linear response theories in the continuum capable of describing photoionization spectra and dynamic polarizabilities of finite systems with no spatial symmetry. Our formulations are based on the time-dependent local density approximation with uniform grid representation in the three-dimensional Cartesian coordinate. Effects of the continuum are taken into account either with a Green's function method or with a complex absorbing potential in a real-time method. The two methods are applied to a negatively charged cluster in the spherical jellium model and to some small molecules (silane, acetylene and ethylene).
Keywords
Cite
@article{arxiv.physics/0010025,
title = {Photoabsorption spectra in the continuum of molecules and atomic clusters},
author = {Takashi Nakatsukasa and Kazuhiro Yabana},
journal= {arXiv preprint arXiv:physics/0010025},
year = {2016}
}
Comments
13 pages, 9 figures