Periodic density functional embedding theory for complete active space self-consistent field and configuration interaction calculations: Ground and excited states

Chemical Compounds

• CI Calculation 100%
• CASSCF Calculation 89%
• Slab Like Crystal 75%
• Excited State 52%
• Ground State 52%
• Error 49%
• Molecular Cluster 43%
• Density Functional Theory 41%
• Environment 37%
• Application 20%

Physics & Astronomy

• configuration interaction 67%
• embedding 67%
• self consistent fields 67%
• ground state 43%
• excitation 32%
• slabs 28%