Abstract
Rearrangement of the electron shells accompanying inner-shell photoionization of the CH4 molecule is studied theoretically. For this purpose, the K-shell photoionization cross section σ1s (ω) and the respective photoelectron angular distribution (PAD) parameter βe1s(ω) are computed in different approximations using the single center method. It is obtained that a strong mixing of the partial ionization channels in the vicinity of the 1s ionization threshold, caused by the the non-spherical part of the molecular potential, results in a qualitative difference between the electronic rearrangement effects in molecules, as compared to atoms.
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References
F. de Groot, Chem. Rev. 101, 1779 (2001)
J. Rehr, A. Ankudinov, Coord. Chem. Rev. 249, 131 (2005)
D.E. Ramaker, D.C. Koningsberger, Phys. Chem. Chem. Phys. 12, 5514 (2010)
G.S. Henderson, F.M. de Groot, B.J. Moulton, Rev. Mineral. Geochem. 78, 75 (2014)
V.L. Sukhorukov, V.A. Yavna, V.F. Demekhin, Bull. Acad. Sci. USSR Phys. 46, 763 (1982)
I. Cacelli, V. Carravetta, R. Moccia, J. Phys. B: At. Mol. Phys. 18, 1375 (1985)
M. Stener, G. Fronzoni, D. Toffoli, P. Decleva, Chem. Phys. 282, 337 (2002)
A.P.P. Natalense, L.M. Brescansin, R.R. Lucchese, Phys. Rev. A 68, 032701 (2003)
E. Plésiat, P. Decleva, F. Martín, Open Phys. 11, 1157 (2013)
V.L. Sukhorukov, V.F. Demekhin, V.V. Timoshevskaya, S.V. Lavrentev, Opt. Spectrosc. (USSR) 47, 407 (1979)
V.L. Sukhorukov, V.F. Demekhin, V.A. Yavna, I.D. Petrov, L.A. Demekhina, S.V. Lavrentiev, Coord. Chem. (USSR) 9, 158 (1983)
P.V. Demekhin, A. Ehresmann, V.L. Sukhorukov, J. Chem. Phys. 134, 024113 (2011)
S.A. Galitskiy, A.N. Artemyev, K. Jankala, B.M. Lagutin, P.V. Demekhin, J. Chem. Phys. 142, 034306 (2015)
R. Moccia, J. Chem. Phys. 40, 2164 (1964)
R. Buckingham, H.S.W. Massey, F.R.S. Tibbs, S.R. Tibbs, Proc. Roy. Soc. London A 178, 119 (1941)
M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput. Chem. 14, 1347 (1993)
T.H. Dunning, J. Chem. Phys. 55, 716 (1971)
Y.K. Kim, K. Irikura, M. Rudd, M. Ali, P. Stone, J. Chang, J.S. CourseyR.A. Dragoset, A.R. Kishore, K.J. Olsen, A.M. Sansonetti, G.G. Wiersma, D.S. Zucker, M.A. Zucker, Electron-Impact Ionization Cross Section for Ionization and Excitation Database (version 3.0). [Online] (National Institute of Standards and Technology, Gaithersburg, MD, 2004)
R. Deslattes, E. Kessler, Jr., P. Indelicato, NIST XrayTrans Team, X-ray Transition Energies (version 1.2). [Online] (National Institute of Standards and Technology, Gaithersburg, MD, 2005)
I.H. Suzuki, N. Saito, J. Electron Spectrosc. Relat. Phenom. 129, 71 (2003)
A.P. Lukirskii, I.A. Brytov, T.M. Zimkina, Opt. Spektrosk. [Eng. Transl. Opt. Spectrosc. 17, 234 (1964)] 17, 438 (1964)
B. Henke, P. Lee, T. Tanaka, R. Shimabukuro, B. Fujikawa, At. Data Nucl. Data Tables 27, 1 (1982)
H.M. Köppe, B.S. Itchkawitz, A.L.D. Kilcoyne, J. Feldhaus, B. Kempgens, A. Kivimäki, M. Neeb, A.M. Bradshaw, Phys. Rev. A 53, 4120 (1996)
V.L. Sukhorukov, A.N. Hopersky, I.D. Petrov, V.A. Yavna, V.F. Demekhin, J. Phys. France 48, 1677 (1987)
E.G. Berezhko, N.M. Kabachnik, J. Phys. B: At. Mol. Phys. 10, 2467 (1977)
V. Schmidt, Rep. Prog. Phys. 55, 1483 (1992)
P.V. Demekhin, B.M. Lagutin, I.D. Petrov, Phys. Rev. A 85, 023416 (2012)
A. Knie, M. Ilchen, P. Schmidt, P. Reiß, C. Ozga, B. Kambs, A. Hans, N. Müglich, S.A. Galitskiy, L. Glaser, P. Walter, J. Viefhaus, A. Ehresmann, P.V. Demekhin, Phys. Rev. A 90, 013416 (2014)
V. Sukhorukov, I. Petrov, B. Lagutin, A. Ehresmann, K.H. Schartner, H. Schmoranzer, Phys. Rep. 786, 1 (2019)
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Contribution to the Topical Issue “Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (2018)”, edited by Károly Tőkési, Béla Paripás, Gábor Pszota, and Andrey V. Solov’yov.
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Novikovskiy, N.M., Rezvan, D.V., Petrov, I.D. et al. Interchannel mixing in the K-shell photoionization of CH4. Eur. Phys. J. D 73, 83 (2019). https://doi.org/10.1140/epjd/e2019-90549-6
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DOI: https://doi.org/10.1140/epjd/e2019-90549-6