dorsal/arxiv
View SchemaPhotoabsorption spectra in the continuum of molecules and atomic clusters
| Authors | Takashi Nakatsukasa, Kazuhiro Yabana |
|---|---|
| Categories | |
| ArXiv ID | physics/0010025 |
| URL | https://arxiv.org/abs/physics/0010025 |
| DOI | 10.1063/1.1338527 |
| Journal | J.Chem.Phys. 114 (2001) 2550 |
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).
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"abstract": "We present linear response theories in the continuum capable of describing\nphotoionization spectra and dynamic polarizabilities of finite systems with no\nspatial symmetry. Our formulations are based on the time-dependent local\ndensity approximation with uniform grid representation in the three-dimensional\nCartesian coordinate. Effects of the continuum are taken into account either\nwith a Green\u0027s function method or with a complex absorbing potential in a\nreal-time method. The two methods are applied to a negatively charged cluster\nin the spherical jellium model and to some small molecules (silane, acetylene\nand ethylene).",
"arxiv_id": "physics/0010025",
"authors": [
"Takashi Nakatsukasa",
"Kazuhiro Yabana"
],
"categories": [
"physics.chem-ph",
"nucl-th",
"physics.atm-clus"
],
"doi": "10.1063/1.1338527",
"journal_ref": "J.Chem.Phys. 114 (2001) 2550",
"title": "Photoabsorption spectra in the continuum of molecules and atomic clusters",
"url": "https://arxiv.org/abs/physics/0010025"
},
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