Abstract
One of the most interesting challenges facing theories of electron-molecule collisions is to provide accurate descriptions of collisions at intermediate energies where large numbers of electronic states of the target are strongly coupled and where there are significant resonant processes. In this region there are an infinite number of open channels including ionizing channels. In order to obtain accurate representations of the target wavefunctions it may be necessary to use large configuration interaction (CI) expansions. In view of these difficulties it is perhaps not surprising that so far there have been few investigations of the topic. In this chapter the progress which has been made to apply R-matrix theory to intermediate energy scattering will be reviewed. Some ideas concerning possible future work are also mentioned.
Keywords
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
P.G. Burke, C.J. Noble and P. Scott, Proc. R. Soc A 410 341 (1987).
A.L. Smith, Phil. Trans. Roy. Soc. Lond. A 268 169 (1970).
P.G. Burke and T.G. Webb, J. Phys. B: At. Mol. Phys. 13 L131 (1970).
C. Bloch, Nucl. Phys. 4 503 (1957).
P.G. Burke, I. Mackey and I. Shimamura, J. Phys. B: At. Mol. Phys. 10 2497 (1977).
C. Duneczky, R.W. Wyatt, D. Chatfield, K. Haug, D.W. Schwenke, D.G. Truhlar, Y. Sun and D.J. Kouri, Comp. Phys. Commun. 53 357 (1989).
H. Feshbach, Adv. Phys. (NY) 19 287 (1962).
I. Bray and A.T. Stelbovics, Phys. Rev. Letts. 69 53 (1992).
D. Teillet-Billy, L. Malegat and J.P. Gauyacq, J. Phys. B: At. Mol. Phys. 20 3201 (1987).
I. Shimamura, R-matrix theories, in: “Electronic and Atomic Collisions”, G. Watel, ed., North-Holland, Amsterdam (1978).
R.K. Nesbet, Phys. Rev. A 6 2975 (1981).
C.J. Noble, P.G. Burke and S. Salvini, J. Phys. B: At. Mol. Phys. 15 3779 (1982).
P.G. Burke and V.M. Burke, to be published (1994).
W. Duch, “GRMS or Graphical Representation of Model Spaces”, (Lecture Notes in Chemistry, 42), Springer-Verlag, Berlin (1986).
V.M. Burke and C.J. Noble, Comp. Phys. Commun, in press (1994).
M. Le Dourneuf, J.M. Launay and P.G. Burke, J. Phys. B: At. Mol. Opt. Phys. 23 L559 (1990).
T.T. Scholz, J. Phys. B: At. Mol. Opt. Phys. 24 2127 (1991).
P.G. Burke, K.A. Berrington and C.V. Sukumar, J. Phys. B: At. Mol. Phys. 14 289 (1981).
M.R.F. Siggel, J.B. West, M.A. Hayes, A.C. Parr, J.L. Dehmer and I. Iga, J. Chem. Phys. 99 1556 (1993)
J.L. Dehmer, P.M. Dehmer, J.B. West, M.A. Hayes, M.R.F. Siggel and A.C. Parr, J. Chem. Phys. 97 7911 (1992).
A.D. Buckingham, B.J. Orr and J.M. Sichel, Phil. Trans. Roy. Soc. Lond. A 268 147 (1970)
J.C. Tully, R.S. Berry and B.J. Dalton, Phys. Rev. 178 95 (1968)
D. Dill and J.L. Dehmer, J. Chem. Phys. 61 692 (1974)
R.J.W. Henry and L. Lipsky, Phys. Rev. 153 51 (1967).
N.A. Cherepkov and V.V. Kuznetsov, At. Mol. Clust. 7 271 (1980)
N.A. Cherepkov, Adv. At. Mol. Phys. 19 395 (1983).
D. Dill, J. Chem. Phys. 65 1130 (1976).
P.G. Burke, Electron and photon collisions with molecules, in: “Collision Theory for Atoms and Molecules”, F.A. Gianturco, ed., Plenum, New York (1989); unpublished notes.
M.E. Rose, “Elementary Theory of Angular Momentum”, John Wiley, New York (1957).
C.N. Yang, Phys. Rev. 74 764 (1948).
B.I. Schneider, M. Le Dourneuf and P.G. Burke, J. Phys. B: At. Mol. Phys. 12 L365 (1979).
P.G. Burke and M.J. Seaton, J. Phys. B: At. Mol. Phys. 17 L683 (1984)
M.J. Seaton, J. Phys. B: At. Mol. Phys. 18 2111 (1985).
K.A. Berrington, P.G. Burke, K. Butler, M.J. Seaton, P.J. Storey, K.T. Taylor and Y. Yan, J. Phys. B: At. Mol. Opt. Phys. 20 6379 (1987)
M.J. Seaton, J. Phys. B: At. Mol. Opt. Phys. 19 2601 (1986)
Y. Yan and M.J. Seaton, J. Phys. B: At. Mol. Phys. 20 6409 (1987).
J. Tennyson, C.J. Noble and P.G. Burke, Int. J. Q. Chem. XXIX 1033 (1986).
J. Tennyson, J. Phys. B: At. Mol. Opt. Phys. 19 4255 (1986).
A.C. Parr, J.E. Hardis, S.H. Southworth, C.S. Feigerle, T.A. Ferrett, D.M.P. Holland, F.M. Quinn, B.R. Dobson, J.B. West, G.V. Marr and J.L. Dehmer, Phys. Rev. A 37 437 (1988).
G. Raseev, J. Phys. B: At. Mol. Phys. 18 423 (1985).
L.A. Collins, B.I. Schneider and C.J. Noble, Phys. Rev. 45 4610 (1992)
I. Shimamura, C.J. Noble and P.G. Burke, Phys. Rev. A 41 3545 (1990); earlier references are listed in these papers.
K. Nakashima, H. Takagi and H. Nakamura, J. Chem. Phys. 86 726 (1987).
A. Giusti-Suzor, J.N. Bardsley and C. Derkits, Phys. Rev. 28 682 (1983).
L.A. Collins, B.I. Schneider, C.J. Noble, C.W. McCurdy and S. Yabushita, Phys. Rev. Lett. 57 980 (1986).
G. Breit and E.P. Wigner, Phys. Rev. 49 519 (1936).
A.U. Hazi, Phys. Rev. A 19 920 (1979).
J. Tennyson and C.J. Noble, Comput. Phys. Commun. 33 421 (1984).
A.J.F. Siegert, Phys. Rev. 56 750 (1939).
U. Fano, Phys. Rev. 124 1866 (1961).
M.V. Basilevsky and V.M. Ryaboy, J. Comp. Chem. 8 683 (1987).
K.W. McVoy, Nuclear resonance reactions and S-matrix analyticity, in: “Fundamentals in Nuclear Reaction Theory”, A. de Shalit and C. Villi, eds., IAEC, Vienna (1967).
B.I. Schneider, Phys. Rev. A 24 1 (1981).
D.W. Schwenke, Theor. Chim. Acta. 74 381 (1988).
C.J. Noble, M. Dörr and P.G. Burke, J. Phys. B: At. Mol. Opt. Phys. 26 2983 (1993).
E.P. Wigner and L. Eisenbud, Phys. Rev. 74 29 (1947).
L.M. Delves and J.N. Lyness, Math. Comput. 21 543 (1967).
S.D. Conte and C. de Boor, “Elementary Numerical Analysis-An Algorithmic Approach”, McGraw-Hill, New York (1980).
M.P. Carpentier and A.F. Dos Santos, J. Comp. Phys. 45 210 (1982).
B. Davies, J. Comp. Phys. 66 36 (1986).
P.G. Burke, P. Francken and C.J. Joachain, J. Phys. B: At. Mol. Opt. Phys. 24 761 (1991).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1995 Springer Science+Business Media New York
About this chapter
Cite this chapter
Noble, C.J. (1995). R-Matrix Techniques for Intermediate Energy Scattering and Photoionization. In: Huo, W.M., Gianturco, F.A. (eds) Computational Methods for Electron—Molecule Collisions. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-9797-8_14
Download citation
DOI: https://doi.org/10.1007/978-1-4757-9797-8_14
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4757-9799-2
Online ISBN: 978-1-4757-9797-8
eBook Packages: Springer Book Archive