Spectroscopic Properties and Potential Energy Curves of Low-lying electronic States of RuC

Spectroscopic Properties and Potential Energy Curves of Low-lying electronic States of RuC [electronic resource]

The RuC molecule has been a challenging species due to the open-shell nature of Ru resulting in a large number of low-lying electronic states. We have carried out state-of-the-art calculations using the complete active space multi-configuration self-consistent field (CASSCF) followed by multireferen...

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Bibliographic Details
Online Access: Online Access (via OSTI)
Corporate Author: Lawrence Berkeley National Laboratory (Researcher)
Format: Government Document Electronic eBook
Language:English
Published: Washington, D.C. : Oak Ridge, Tenn. : United States. Department of Energy. ; distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, 2003.
Subjects:
Configuration Interaction.
Excited States.
Dipole Moments.
Potential Energy.
Self-Consistent Field.
Spin.
Inorganic, Organic, Physical And Analytical Chemistry.

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Call Number: E 1.99:ucrl-jrnl-201633
E 1.99:ucrl-jrnl-201633 Available

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