Electron affinity of Ce and electronic states of Ce

Xiaoyan Cao and Michael Dolg
Phys. Rev. A 69, 042508 – Published 9 April 2004

Abstract

Relativistic energy-consistent small-core lanthanide pseudopotential multireference configuration-interaction (MRCI) studies yield 15 bound states for Ce. These include twelve bound states with 5d attachment with the following electron affinities (in meV with corresponding J in parentheses): 530 (7∕2), 421 (9∕2), 332 (7∕2), 276 (9∕2), 242 (9∕2), 229 (11∕2), 168 (5∕2), 101 (11∕2), 96 (7∕2), 84 (13∕2), 62 (3∕2), 18 (5∕2). The remaining three bound states result from 6p attachment with the following electron affinities: 156 (9∕2), 80 (5∕2), 8 (7∕2). Considering averaged coupled pair functional-type corrections to the MRCI value as well as possible finite basis set errors the final relativistic result for the electron affinity of Ce is 0.58±0.1eV. The present results are compared to experimental measurements, as well as to data from other theoretical calculations.

  • Figure
  • Figure
  • Received 5 December 2003

DOI:https://doi.org/10.1103/PhysRevA.69.042508

©2004 American Physical Society

Authors & Affiliations

Xiaoyan Cao1,2,* and Michael Dolg1,†

  • 1Institut für Theoretische Chemie, Universität zu Köln, D-50939 Köln, Germany
  • 2Biochemistry Department, Zhongshan University, Guangzhou 510275, People's Republic of China

  • *FAX: (00)49-221-470-6896. Email address: x.cao@uni-koeln.de
  • Email address: m.dolg@uni-koeln.de

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Issue

Vol. 69, Iss. 4 — April 2004

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