Electron-impact Excitation Of H2: Minimal Orbital Basis For Single Configuration Interaction

We report theoretical differential excitation cross sections for scattering of electrons by H2 molecules using the Schwinger multichannel approach (SMC). This study differs from previous applications of the SMC method in the description of the excited states (which are now obtained through the single configuration interaction technique) and in the level of the multichannel coupling. The calculation is performed with singlet and triplet states present in the manifold. The results given by this strategy show a significant improvement to experimental data in comparison with earlier two-state close coupling calculations.376L129L135Trajmar, S., Cartwright, D.C., Rice, J.K., Brinkmann, R.T., Kupperman, A., (1968) J. Chem. Phys., 49, p. 5464Weingartshofer, A., Ehrhardt, H., Hermann, V., Linder, F., (1970) Phys. Rev. A, 2, p. 294Hall, R.I., Andric, L., (1984) J. Phys. B: At. Mol. Phys., 17, p. 3815Nishimura, H., Danjo, A., (1986) J. Phys. Soc. Japan, 55, p. 3031Khakoo, M.A., Trajmar, S., McAdams, K., Shyn, T.W., (1987) Phys. Rev. A, 35, p. 2832Khakoo, M.A., Segura, J., (1994) J. Phys. B: At. Mol. Opt. Phys., 27, p. 2355Khakoo, M.A., Trajmar, S., (1986) Phys. Rev. A, 34, p. 138Srivastava, S., Jansen, S., (1977) J. Phys. B: At. Mol. Phys., 10, p. 3341Khakoo, M.A., Trajmar, S., (1986) Phys. Rev. A, 34, p. 146Wrkich, J., Mathews, D., Kanik, I., Trajmar, S., Khakoo, M.A., (2002) J. Phys. B: At. Mol. Opt. Phys., 35, p. 4695Baluja, K.L., Noble, C.J., Tennyson, J., (1985) J. Phys. B: At. Mol. Phys., 18, pp. L851Schneider, B.I., Collins, L., (1985) J. Phys. B: At. Mol. Phys., 18, pp. L857Lima, M.A.P., Gibson, T.L., Takatsuka, K., McKoy, V., (1985) J. Phys. B: At. Mol. Phys., 18, pp. L865Gibson, T.L., Lima, M.A.P., McKoy, V., Huo, W.M., (1987) Phys. Rev. A, 35, p. 2473Rescigno, T.N., Schneider, B.I., (1988) J. Phys. B: At. Mol. Opt. Phys., 21, pp. L961Lima, M.A.P., Gibson, T.L., McKoy, V., Huo, W., (1988) Phys. Rev. A, 38, p. 4527Parker, S.D., McCurdy, C.W., Rescigno, T.N., Lengsfield III, B.H., (1991) Phys. Rev. A, 43, p. 3514Machado, A.M., Fujimoto, M.M., Taveira, A.M.A., Brescansin, L.M., Lee, M.T., (2001) Phys. Rev. A, 63, p. 0032707Goddard III, W.A., Hunt, W.J., (1974) Chem. Phys. Lett., 24, p. 464Machado, A.M., Taveira, A.M.A., Brescansin, L.M., Lee, M.T., (2001) J. Mol. Struct., 574, p. 133Branchett, S.E., Tennyson, J., Morgan, L.A., (1991) J. Phys. B: At. Mol. Opt. Phys., 24, p. 3479Trevisan, C.S., Tennyson, J., (2001) J. Phys. B: At. Mol. Opt. Phys., 34, p. 2935Takatsuka, K., McKoy, V., (1981) Phys. Rev. A, 24, p. 2473Lippmann, B.A., Schwinger, J., (1950) Phys. Rev., 79, p. 469Lima, M.A.P., McKoy, V., (1988) Phys. Rev. A, 38, p. 501Rodberg, L.S., Thaler, R.M., (1970) Introduction of Quantum Theory of Scattering, p. 299. , New York: AcademicKolos, W., Wolniewicz, L., (1965) J. Chem. Phys., 43, p. 2429Kolos, W., Wolniewicz, L., (1968) J. Chem. Phys., 48, p. 3672Kolos, W., Rychlewski, J., (1977) J. Mol. Spectrosc., 66, p. 428Kolos, W., Dresser, K., (1985) J. Chem. Phys., 82, p. 3292Rothenberg, S., Davidson, E.R., (1966) J. Chem. Phys., 44, p. 730Sharp, T.E., (1971) At. Data, 2, p. 119Lee, M.T., Taveira, A.M.A., Fujimoto, M.M., Machado, L.E., Brescansin, L.M., (1997) J. Mol. Struct., 394, p. 12