Assessment of the accuracy of shape-consistent relativistic effective core potentials using multireference spin-orbit configuration interaction singles and doubles calculations of the ground and low-lying excited states of U⁴⁺ and U⁵⁺

Authors

• Eric V. Beck, Lawrence Livermore National Laboratory
• Scott R. Brozell, Ohio Supercomputer Center
• Jean-Phillipe Blaudeau, High Performance Technologies Incorporated
• Larry W. Burggraf, Air Force Institute of TechnologyFollow
• Russell Pitzer, The Ohio State University

Document Type

Article

Publication Date

11-2009

Comments

The full article is available by subscription or purchase at the DOI link below.

DOI

10.1021/jp9049846

Source Publication

Journal of Physical Chemistry A (ISSN 1089-5639)

Recommended Citation

Beck, E. V., Brozell, S. R., Blaudeau, J.-P., Burggraf, L. W., & Pitzer, R. M. (2009). Assessment of the accuracy of shape-consistent relativistic effective core potentials using multireference spin−orbit configuration interaction singles and doubles calculations of the ground and low-lying excited states of U4+ and U5+. The Journal of Physical Chemistry A, 113(45), 12626–12631. https://doi.org/10.1021/jp9049846