R-matrix calculation of integral and differential cross sections for low-energy electron impact excitations of N2 molecule
نویسندگان
چکیده
Low-energy electron impact excitations of N2 molecules are studied using the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals. Thirteen target electronic states of N2 are included in the model within a valence configuration interaction representations of the target states. Integrated as well as differential cross sections of the AΣu , B 3 Πg, W∆u, B 3 Σ − u , a ′1 Σ − u , a 1 Πg, w∆u and CΠu states are calculated and compared with the previous experimental measurements. These excitations, especially of the higher four states, have not been studied enough theoretically in the previous literature. In general, good agreements are observed both in the integrated and differential cross sections. However, some discrepancies are seen in the integrated cross sections of the AΣu and C 3 Πu states, especially around a peak structure. PACS numbers: 34.80.Gs Present address: Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishi-Hiraki-cho 34-4, Kyoto 606-8103, JAPAN.; E-mail:[email protected]
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Electron impact excitations of S2 molecules
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تاریخ انتشار 2006