A modification potential method for electron scattering total cross section calculations on several molecules at 30–5000eV

Autor:	Zhu Zun-Lue, Shi De-Heng, Sun Jin-Feng, Liu Yu-Fang
Rok vydání:	2004
Předmět:	Physics Cross section (physics) Atomic orbital Additive function Atom General Physics and Astronomy Molecule Nuclear cross section Potential method Physics::Chemical Physics Atomic physics Electron scattering
Zdroj:	Chinese Physics. 14:120-127
ISSN:	1741-4199 1009-1963
Popis:	A complex optical model potential modified by incorporating the concept of bonded atom which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule is employed to calculate the total cross sections for electron scattering in such molecules as N2, NO, NO2, CH4, CF4, CF3H, C2H2 and C2H4 at 30–5000eV using the additivity rule model at Hartree–Fock level. The quantitative total cross sections are compared with those obtained in experiments and other theories, wherever available and good agreement is obtained at 30–5000eV. It is shown that the modified calculation results are much closer to the available experimental data than the unmodified ones at lower energies, especially below 500eV. Therefore, considering the overlapping effect of electron clouds in the complex optical model potential could be helpful for better calculation results about electron scattering total cross sections from molecules.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::1f90763f7c972067cc013f8f29d2ace8 https://doi.org/10.1088/1009-1963/14/1/022 Zobrazit plný text záznamu