Conclusions
It is very important to reduce the errors in the theoretical approximation associated with inaccuracy in calculating the atomic-scattering amplitudes for structural electron diffraction.
Vapor electron diffraction is advanced by calculating the atomic scattering amplitudes by means of a method that gives them directly from the electron wave functions for the atoms, in conjunction with the software suite written for the purpose.
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Literature Cited
R. McWeeny and B. Sutcliffe, Molecular Quantum Mechanics [Russian translation], Mir, Moscow (1972).
R. A. Bonham and T. G. Strand, J. Chem. Phys.,40, 3447–3451 (1964).
N. Mott and H. Massey, Atomic-Collision Theory [Russian translation], Mir, Moscow (1969).
G. F. Drukarev, Collisions of Electrons with Atoms [in Russian], Nauka, Moscow (1978).
V. V. Babikov, The Phase-Function Method in Quantum Mechanics [in Russian], Fizmatgiz, Moscow (1968).
J. W. Cooley, Math. Comput.,15, 363–364 (1961).
L. Schafer, A. C. Yates, and R. A. Bonham, J. Chem. Phys.,55, 3055–3056 (1971).
A. S. Davydov, Quantum Mechanics [in Russian], Fizmatgiz, Moscow (1963).
V. S. Vinogradov and N. G. Rambidi, Zh. Strukt. Khim.,12, 947–951 (1971).
H. L. Cox and R. A. Bonham, J. Chem. Phys.,47, 2599–2608 (1967).
E. Clementi, IBM J. Res. Dev.,9, 2–31 (1965).
R. A. Bonham and L. Schafer, Sec 2, 5 in International Tables for X-Ray Crystallography, Vol. 4, Kynoch Press, Birmingham, England (1974).
M. G. Anashkin and A. G. Gershikov, Zh. Strukt. Khim.,23, 181–182 (1982).
B. Andersen, H. M. Seip, T. G. Strand, and R. Stolevik, Acta Chem. Scand.,23, 3224–3234 (1969).
E. Vajda, I. Hargittai, M. Hargittai, et al., Inorg. Chem.,26, 1171–1174 (1987).
V. V. Kasparov, Yu. S. Ezhov, and N. G. Rambidi, Zh. Strukt. Khim.,20, 341–343 (1979).
A. D. McLean and R. S. McLean, Atom. Data Tables,26, 197–381 (1981).
V. S. Vinogradov and N. G. Rambidi, Zh. Strukt. Khim.,10, 1098–1101 (1969).
L. V. Vilkov, M. G. Anashkin, E. Z. Zasorin, et al., The Theoretical Principles of Vapor Electron Diffraction [in Russian], MGU, Moscow (1974).
Yu. S. Ezhov and S. A. Komarov, Zh. Strukt. Khim.,26, 178–180 (1985).
Additional information
High-Temperatures Institute, USSR Academyof Sciences. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 1, pp. 41–48, January–February, 1990.
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Bazhanov, V.I. Calculating atomic fast-electron scattering amplitudes by means of electron wave functions. J Struct Chem 31, 33–39 (1990). https://doi.org/10.1007/BF00752010
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DOI: https://doi.org/10.1007/BF00752010