Table of Contents
Theory: Multiplet EnergiesIntroduction
1 MULTIPLET ENERGIES
1.1 DFT energy of a one-determinantal wavefunction
Results for first and second period atoms
1.2 Ground and Excited State Multiplets
Format of the input.
Example: Carbon p2
1.3 Appendix
Xα (α = 0.7) results, with and without GGA (Becke-Perdew)
VWN results, with and without GGA (Becke-Perdew)
References
