Application Of The Method Of Continued Fractions To Multichannel Studies On Electronic Excitation Of H2 By Electron Impact

In the present work, the method of continued fractions at a five-channel close-coupling level of approximation is applied to study the low-energy electron-impact excitation in linear molecules. Particularly, cross sections for the X1Σg +→b3Σ u +,X1Σg +→a3Σg +, and X1Σg +→c3Πu transitions in H2 in the (15-40)-eV energy range are reported. As in our early two-state studies, no orthogonality constraint between the bound and continuum orbitals is imposed and the one-electron exchange terms are considered explicitly. In general, our calculated cross sections are in good agreement with the results obtained by the four-state Kohn variational method. Comparison between our calculated results with available experimental data is encouraging. ©2001 The American Physical Society.63316Pitchford, L., McKoy, V., Chutjian, A., Trajmar, S., (1986) Proceedings of the Meeting of the Fourth International Swarm and the Inelastic Electron-Molecule Collisions Symposium, , Swarm Studies and Inelastic Electron-Molecule Collisions, edited by L. Pitchford, V. McKoy, A. Chutjian, and S. Trajmar Springer-Verlag, New YorkBaluja, K.L., Noble, C.J., Tennyson, J., (1985) J. Phys. B, 18, pp. L851Schneider, B.I., Collins, L.A., (1985) J. Phys. B, 18, pp. L857Lima, M.A.P., Gibson, T.L., Huo, W.M., McKoy, V., (1985) J. Phys. B, 18, pp. L865Pritchard, H.P., McKoy, V., Lima, M.A.P., (1990) Phys. Rev. A, 41, p. 546Rescigno, T.N., Schneider, B.I., (1992) Phys. Rev. A, 45, p. 2894Sun, Q., Winstead, C., McKoy, V., Lima, M.A.P., (1992) J. Chem. Phys., 96, p. 3531Lee, M.-T., Fujimoto, M.M., Kroin, T., Iga, I., (1996) J. Phys. B, 29, pp. L425Lee, M.-T., Fujimoto, M.M., Iga, I., (1998) J. Mol. Struct.: THEOCHEM, 432, p. 197Branchett, S.E., Tennyson, J., Morgan, L.A., (1990) J. Phys. B, 23, p. 4625Branchett, S.E., Tennyson, J., Morgan, L.A., (1991) J. Phys. B, 24, p. 3479Parker, S.D., McCurdy, C.W., Rescigno, T.N., Lengsfield III, B.H., (1991) Phys. Rev. A, 43, p. 3514Sartori, C.S., Lima, M.A.P., (1995) Scientific Program and Abstract of Contributed Papers, XIX ICPEAC, p. 28. , edited by J. B. A. Mitchell, J. W. McConkey, and C. E. Brion Whistler, CanadaLee, M.-T., Iga, I., Fujimoto, M.M., Lara, O., (1995) J. Phys. B, 28, pp. L299Lee, M.-T., Iga, I., Fujimoto, M.M., Lara, O., (1995) J. Phys. B, 28, p. 3325Horacek, J., Sasakawa, T., (1983) Phys. Rev. A, 28, p. 2151Horacek, J., Sasakawa, T., (1984) Phys. Rev. A, 30, p. 2274Fano, U., Dill, D., (1972) Phys. Rev. A, 6, p. 185Fliflet, A.W., McKoy, V., (1980) Phys. Rev. A, 21, p. 1863Goddard III, W.A., Hunt, W.J., (1974) Chem. Phys. Lett., 24, p. 464Huzinaga, S., (1965) J. Chem. Phys., 42, p. 1293Kolos, W., Roothaan, C.C.J., (1960) Rev. Mod. Phys., 32, p. 219Lima, M.A.P., Gibson, T.L., McKoy, V., Huo, W.M., (1988) Phys. Rev. A, 38, p. 4527Khakoo, M.A., Trajmar, S., (1986) Phys. Rev. A, 34, p. 146Nishimura, H., Danjo, A., (1986) J. Phys. Soc. Jpn., 55, p. 303

Multi-channel Coupling Effects For Electronic Excitations Leading To The B3∑u +, A3∑g +, And C3∝u States Of H2

In this work we use the unitarized distorted wave method to study the effect of multi-channel coupling on the calculated electronic excitation cross sections in H2. Specifically, such an effect for electronic excitations leading to the excited states b3∑u +, a3∑g +, and c 3∝u for incident energies varying from 15 to 60 eV is studied. Our results have shown that converged cross sections can be obtained with the inclusion of only triplet intermediate states, except for energies near the excitation thresholds, where the inclusion of singlet intermediate states is important. Also, convergence improves with increasing energies for all excitations considered. Comparison of our calculated cross sections with available experimental and other theoretical results is encouraging. © 2006 Wiley Periodicals, Inc.106920062013Cartwright, D.C., (1986) Proceedings of the Meeting of the Fourth International Swarm and the Inelastic Electron-molecule Collisions Symposium, p. 401. , Swarm Studies and Inelastic Electron-Molecule CollisionsPitchford, L. C.McKoy, V.Chutjian, A.Trajmar, S., Eds.Springer-Verlag: New YorkGambosi, T.I., Dezeeuw, D.L., Haberli, R.M., Powell, K.G., (1996) J Geophys Res, 101, p. 15233Lallement, R., Raymond, J.C., Bertaux, J.-L., Quémerais, E.Y.-K.K., Uzzo, M., McMullin, D., Rucinski, D., (2004) Astronom Astrophys, 426, p. 867Collins, L.A., Schneider, B.I., (1990) Electronic and Atomic Collisions, p. 57. , Gilbody, H. B.Newell, W. R.Read, F. H.Smith, A. C. H., Eds.Amsterdam: ElsevierWrkich, J., Mathews, D., Kanik, I., Trajmar, S., Khakoo, M.A., (2002) J Phys B at Mol Opt Phys, 35, p. 4695Khakoo, M.A., Johnson, P.V., Ozkay, I., Yan, P., Trajmar, S., Kanik, I., (2005) Phys Rev A, 71, pp. 62703-62711Branchett, S.E., Tennyson, J., Morgan, L.A., (1990) J Phys B at Mol Phys, 23, p. 4625Branchett, S.E., Tennyson, J., Morgan, L.A., (1991) J Phys B at Mol Phys, 24, p. 3479Parker, S.D., McCurdy, C.W., Rescigno, T.N., Lengsfield III, B.H., (1991) Phys Rev A, 43, p. 3514Takatsuka, K., McKoy, V., (1981) Phys Rev A, 24, p. 2473Lee, M.-T., Fujimoto, M.M., Kroin, T., Iga, I., (1996) J Phys B at Mol Opt Phys, 29, pp. L425Lee, M.-T., Fujimoto, M.M., Iga, I., (1997) J Mol Struct (Theochem), 394, p. 117Lee, M.-T., Fujimoto, M.M., Iga, I., (1998) J Mol Struct (Theochem), 432, p. 197Machado, A.M., Taveira, A.M.A., Brescansin, L.M., Lee, M.-T., (2001) J Mol Struct (Theochem), 574, p. 133Machado, A.M., Fujimoto, M.M., Taveira, A.M.A., Brescansin, L.M., Lee, M.-T., (2001) Phys Rev A, 63, p. 032707Morgan, W.L., Winstead, C., McKoy, V., (2001) J Appl Phys, 90, p. 2009Gorfinkel, J.D., Morgan, L.A., Tennyson, J., (2002) J Phys B at Mol Opt Phys, 35, p. 543Gil, T.J., Langsfield, B.H., McCurdy, C.W., Rescigno, T.N., (1994) Phys Rev A, 49, p. 2551Seaton, M.J., (1961) Proc Phys Soc, 77, p. 174Silva Jr., O.S., Da Paixão, F.J., (1994) J Phys B, 27, pp. L265Fliflet, A.W., McKoy, V., (1980) Phys Rev A, 21, p. 1863Lucchese, R.R., Raseev, G., McKoy, V., (1982) Phys Rev A, 25, p. 2572Goddard III, W.A., Hunt, W., (1974) J Chem Phys Lett, 24, p. 464Huzinaga, S., (1965) J Chem Phys, 42, p. 1293Kolos, W., Roothaan, C.C.J., (1960) Rev Mod Phys, 32, p. 219Lima, M.A.P., Gibson, T.L., Takatsuka, K., McKoy, V., (1984) Phys Rev A, 30, p. 1741Nishimura, H., Danjo, A., (1986) J Phys Soc Jpn, 55, p. 3031Khakoo, M., McAdams, R., Shyn, T.W., (1987) Phys Rev A, 35, p. 2832Shemansky, D.E., Ajello, J.M., Hall, D.T., (1985) Astrophys J, 296, p. 765Costa, R.F., Da Paixão, F.J., Lima, M.A.P., (2005) J Phys B at Mol Opt Phys, 38, p. 4363Costa, R.F., Da Paixão, F.J., Lima, M.A.P., (2004) J Phys B at Mol Opt Phys, 37, pp. L129Hall, R.I., Andric, L., (1984) J Phys B at Mol Phys, 17, p. 3815Mu-Tao, L., Machado, L.E., Leal, E.P., Brescansin, L.M., Lima, M.A.P., Machado, F.B.C., (1990) J Phys B at Mol Phys, 23, pp. L23

Vibronic Excitation Cross-sections For The Χ1Σ+ G(ν = 0) → C1Πu(ν′ = 0,1,2,3) Transitions In H2 By Electron Impact

In this work the distorted-wave approximation is applied for a systematic study of the Χ1Σ+ g → C1Πu transition in H2 by electron impact in the 15-60 eV energy range. Adiabatic-nuclei differential and integral cross-sections and branching ratios for the vibronic transitions ν = 0 → ν′ = 0,1,2,3, as well as fixed-nuclei differential and integral cross-sections, are reported. The comparison of our fixed-nuclei results with the available experimental data is encouraging. On the other hand, some deviations from the Franck-Condon approximation are seen, particularly for energies lower than 30 eV. © 1997 Elsevier Science B.V.39402/03/15127133Trajmar, S., Register, D.F., Chutjian, A., (1983) Phys. Rep., 97, p. 219Collins, L.A., Schneider, B.I., (1990) Electronic and Atomic Collisions, , H.B. Gilbody, W.R. Newell, F.H. Read and A.C.H. Smith (Eds.), Elsevier, AmsterdamMu-Tao, L., Machado, L.E., Brescansin, L.M., Meneses, G.D., (1991) J. Phys. B, 24, p. 509Arrighini, G.P., Biondi, F., Guidotti, C., (1980) Mol. Phys., 41, p. 1501Arrighini, G.P., Biondi, F., Guidotti, C., Biagi, A., Marinelli, F., (1980) Chem. Phys., 52, p. 133Lee, M.T., Lucchese, R.R., McKoy, V., (1982) Phys. Rev. A, 26, p. 3240Khakoo, M.A., Trajmar, S., (1986) Phys. Rev. A, 34, p. 146Lucchese, R.R., Raseev, G., McKoy, V., (1982) Phys. Rev. A, 25, p. 2572Kolos, W., Roothaan, C.C.J., (1960) Rev. Mod. Phys., 32, p. 219Goddard W.A. III, Hunt, W.J., (1974) Chem. Phys. Lett., 24, p. 464Sharp, I.E., (1971) At. Data, 2, p. 119Lee, M.-T., Brescansin, L.M., Lima, M.A.P., Machado, L.E., Leal, E.P., (1990) J. Phys. B, 23, p. 4331Lee, M.-T., Fujimoto, M.M., Michelin, S.E., Machado, L.E., Brescansin, L.M., (1992) J. Phys. B, 25, pp. L505Monfils, A., (1961) Bull. Cl. Sci., Acad. R. Belg., 47, p. 585Kolos, W., Wolniewicz, L., (1960) J. Chem. Phys., 43, p. 219Shemansky, E., Ajello, J.M., Hall, D.T., (1985) Astrophys. J., 296, p. 76