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Phys. Rev. A 59, 4805–4808 (1999)

Electron-momentum densities of singly charged ions

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Toshikatsu Koga1,2, Hisashi Matsuyama2, E. Romera1, J. S. Dehesa1, and Ajit J. Thakkar3
1Instituto Carlos I de Física Teórica y Computacional, Facultad de Ciencias, Universidad de Granada, Granada E-18071, Spain
2Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050-8585, Japan
3Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick, Canada E3B 6E2

Received 8 September 1998; revised 21 December 1998; published in the issue dated June 1999

Spherically averaged electron momentum densities Π(p) are constructed by the numerical Hartree-Fock method 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 state. As in the case of neutral atoms, the Hartree-Fock momentum densities for all these ions can be classified into three types; 28 cations and 10 anions have a unimodal density with a maximum at p=0, 22 cations and 21 anions have a unimodal density with a maximum at p>0, and 4 cations and 12 anions have a bimodal density with a primary maximum at p=0 and a secondary maximum at p>0.

© 1999 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.59.4805
DOI:
10.1103/PhysRevA.59.4805
PACS:
31.90.+s, 32.80.Cy, 31.10.+z