Large-scale relativistic correlation calculations: Levels of Pr+3

Ziyong Cai, Verena Meiser Umar, and Charlotte Froese Fischer
Phys. Rev. Lett. 68, 297 – Published 20 January 1992
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Abstract

The multiconfiguration Dirac-Fock program grasp has been modified for large-scale, relativistic correlation studies requiring wave-function expansions with several thousand configuration state functions. As a test case, the program was used to study the effects of relativistic correlation on the levels of Pr+3. Our results are in reasonable agreement with experimental data, the lower 3H and 3F levels being in good agreement. The previously controversial 1S0 term is confirmed by theory for the first time.

  • Received 13 September 1991

DOI:https://doi.org/10.1103/PhysRevLett.68.297

©1992 American Physical Society

Authors & Affiliations

Ziyong Cai, Verena Meiser Umar, and Charlotte Froese Fischer

  • Department of Computer Science, Vanderbilt University, P.O. Box 6035B, Nashville, Tennessee 37235

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Issue

Vol. 68, Iss. 3 — 20 January 1992

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