Abstract

Considering the changes of the geometric shielding effect in a molecule as the incident electron energy varing, an empirical fraction, which is dependent on the incident electron energy, is presented. Using this empirical fraction, the total cross sections (TCSs) for electrons scattering from complex polyatomic molecules C2F4 and SO2 are calculated over a wide energy range from 30 to 5000 eV together with the additivity rule model at Hartree-Fock level. In the TCS calculations, the atoms are presented by the spherical complex optical potential, which is composed of static, exchange, polarization and absorption contributions. The quantitative TCSs above 100 eV are in good agreement with those obtained by experiments and other theories. It is proved that the empirical fraction, which exhibits the TCS contributions of shielded atoms in a molecule at different energies, is reasonable.

© 2005 Chinese Optics Letters

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Acta Phys. Sin. (in Chinese) (1)

D.-H. Shi, J.-F. Sun, X.-D. Yang, Z.-L. Zhu, and Y.-F. Liu, Acta Phys. Sin. (in Chinese) 54, 2019 (2005).

Atomic Data and Nuclear Data Tables (1)

E. Clementi and C. Roetti, Atomic Data and Nuclear Data Tables 14, 177 (1974).

Chem. Phys. (1)

M. Bobeldijk, W. J. van der Zande, and P. G. Kistemaker, Chem. Phys. 179, 125 (1994).

Chem. Phys. Lett. (2)

C. Szmytkowski and K. Maciag, Chem. Phys. Lett. 124, 463 (1986).

S. Hayashi and K. Kuchitsu, Chem. Phys. Lett. 41, 575 (1976).

Chin. Opt. Lett. (2)

Chin. Phys. (2)

D.-H. Shi, Y.-F. Liu, J.-F. Sun, X.-D. Yang, and Z.-L. Zhu, Chin. Phys. 14, 2208 (2005).

J.-F. Sun, B. Xu, Y.-F. Liu, and D.-H. Shi, Chin. Phys. 14, 1125 (2005).

Chin. Phys. Lett. (1)

D.-H. Shi, Z.-L. Zhu, J.-F. Sun, X.-D. Yang, Y.-F. Liu, and Y. Zhao, Chin. Phys. Lett. 21, 474 (2004).

Commun. Theor. Phys. (1)

Y.-F. Liu, D.-H. Shi, J.-F. Sun, Z.-L. Zhu, and X.-D. Yang, Commun. Theor. Phys. 43, 309 (2005).

J. Chem. Phys. (1)

M. E. Riley and D. G. Truhlar, J. Chem. Phys. 63, 2182 (1975).

J. Phys. B (10)

X. Zhang, J. Sun, and Y. Liu, J. Phys. B 25, 1893 (1992).

D. Raj and S. Tomar, J. Phys. B 30, 1989 (1997).

A. Zecca, J. C. Nogueira, G. P. Karwasz, and R. S. Brusa, J. Phys. B 28, 477 (1995).

A. Jain, J. Phys. B 21, 905 (1988).

T. T. Gien, J. Phys. B 22, L463 (1989).

L. E. Machado, M.-T. Lee, L. M. Brescansin, M. A. P. Lima, and V. McKoy, J. Phys. B 28, 467 (1995).

M.-T. Lee, S. E. Michelin, G. D. Meneses, L. M. Brescansin, and L. E. Machado, J. Phys. B 29, 2337 (1996).

M. T. Lee, S. E. Michelin, T. Kroin, and E. Veitenheimer, J. Phys. B 32, 3043 (1999).

S. E. Michelin, T. Kroin, and M. T. Lee, J. Phys. B 29, 2115 (1996).

K. L. Bell, N. S. Scott, and M. A. Lennon, J. Phys. B 17, 4757 (1984).

Phys. Lett. A (2)

D. Raj, Phys. Lett. A 160, 571 (1991).

D. Raj and A. Kumar, Phys. Lett. A 282, 284 (2001).

Phys. Rev. A (7)

K. L. Baluja and A. Jain, Phys. Rev. A 45, 7838 (1992).

R. Raizada and K. L. Baluja, Phys. Rev. A 55, 1533 (1997).

G. Staszewska, D. W. Schwenken, D. Thirumalai, and D. G. Truhlar, Phys. Rev. A 28, 2740 (1983).

M. H. F. Bettega, L. G. Ferreira, and M. A. P. Lima, Phys. Rev. A 47, 1111 (1993).

S. D. Parker and C. W. McCurdy, Phys. Rev. A 43, 3514 (1991).

A. S. Kadyrov and I. Bray, Phys. Rev. A 66, 012710 (2002).

C. Szmytkowski, S. Kwitnewski, and E. P. Denga, Phys. Rev. A 68, 032715 (2003).

Phys. Rev. Lett. (1)

A. K. Bhatia, B. I. Schneider, and A. Temkin, Phys. Rev. Lett. 70, 1936 (1993).

Rad. Phys. Chem. (1)

C. Szmytkowski, P. Mozejko, and A. Krzysztofowicz, Rad. Phys. Chem. 68, 307 (2003).

Z. Phys. D (1)

K. N. Joshipura and M. Vinodkumar, Z. Phys. D 17, 133 (1997).

Other (1)

D. R. Lide, CRC Handbook of Chemistry and Physics (81st edn.) (Chemical Rubber Company, Boca Raton, 2001).

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