A Comparison of the Upper Bound to the Lower Bound Energy of the Doubly Ionized Carbon Ion.
Research and development technical rept.,
ARMY ELECTRONICS COMMAND FORT MONMOUTH N J
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The objective of the report was to compare the upper bound of the ground state energy of doubly ionized carbon C to the lower bound obtained by reduced density matrices. To make a fair comparison, the number of orbitals used in both is the same, namely ten. The upper bound is obtained by use of the standard Rayleigh-Ritz Variational Principle. Author Modified Abstract
- Atomic and Molecular Physics and Spectroscopy