The state-selective single-configurational N-electron spin-coupled formalism of Fletcher et al is presented in a multiconfigurational form and applied to the ground state and singly excited S-1.3 states of Be. The method retains the key benefits of the original formulation, particularly in the way that the state is specified by N integers, whilst allowing for the inclusion of angular correlation.
|Number of pages||14|
|Journal||Journal of Physics B: Atomic, Molecular and Optical Physics|
|Publication status||Published - 14 Mar 1998|
- ELECTRONIC WAVE-FUNCTIONS
- VALENCE-BOND CALCULATIONS