Contents Theory: Multiplet Energies
Table of Contents
Introduction
1 MULTIPLET ENERGIES
.. 1.1 DFT energy of a one-determinantal wavefunction
.. 1.2 Ground and Excited State Multiplets
.. 1.3 Appendix
References
1.3 Appendix
Xα (α = 0.7) results, with and without GGA (Becke-Perdew)
VWN results, with and without GGA (Becke-Perdew)
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