Instytut Maszyn Przepływowych
im. Roberta Szewalskiego
Polskiej Akademii Nauk
Powołany w 1956 roku
Volume 86 (1983)
1983, Zeszyt 86
A Multiple-Scattered Method for Chemisorption Systems
Abstract
The objective of this work is to discuss in detail the theoretical background of the Korringa-Kohn- Rostocker multiple-scattered method with an application to the study of electronic structure of clean surfaces and adsorption systems.
The method presented here can be applied to periodic systems with slab configurations. By means of the above mentioned method the theoretical study of the electronic structure of the ordered overlayers ,adsorbed on the crystal surface, the chemical bonds of adsorbate species and adsorbate-induced electron states can be performed.
Keywords:
adsorption systems, periodic systems, slab configurations, electronic structure
INSTITUTE OF
FLUID-FLOW MACHINERY
Polish Academy of Sciences
FLUID-FLOW MACHINERY
Polish Academy of Sciences
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