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Expansion coefficients and moments of electron momentum densities for singly charged ions
Authors:Toshikatsu Koga  E. Romera  J. S. Dehesa  Hisashi Matsuyama  Ajit J. Thakkar
Affiliation:(1)  Instituto Carlos I de Física Teórica y Computacional, Facultad de Ciencias, Universidad de Granada, Granada, E-18071 Spain, ES;(2)  Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050-8585, Japan, JP;(3)  Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick E3B 6E2, Canada, CA
Abstract:Numerical Hartree–Fock calculations of the first three coefficients of the MacLaurin expansion and the leading coefficient of the large-p asymptotic expansion of the electron momentum densities Π(p) are reported for 54 singly charged atomic cations from He+ (atomic number Z = 2) to Cs+ (Z = 55) and 43 anions from H (Z = 1) to I (Z = 53) in their experimental ground states. We also report all the finite moments <p k > (−2≤k≤+4) of the momentum densities Π(p) for the above-mentioned 97 ionic species. The results are compared with the previous ones for neutral atoms [Koga and Thakkar (1996) J Phys B 29: 2973], and the dependence of the expansion coefficients and moments on nuclear charge is discussed among isoelectronic species. Received: 20 November 1998 / Accepted: 15 January 1999 / Published online: 7 June 1999
Keywords:: Momentum density  Expansion coefficients  Moments  Singly charged ions
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