Variational Active Space Selection with Multiconfiguration Pair-Density Functional Theory

Engineering & Materials Science

• Density functional theory 100%
• Wave functions 92%
• Molecules 18%
• Electronic states 15%
• Set theory 12%
• Atoms 9%

Chemical Compounds

• Wave Function 78%
• Density Matrix 26%
• Orbital 23%
• Energy 13%
• CASSCF Calculation 12%
• Organic Molecule 8%
• Error 7%
• Electronic State 7%
• Molecule 6%

Physics & Astronomy

• density functional theory 51%
• wave functions 45%
• orbitals 17%
• self consistent fields 16%
• molecules 8%
• energy 7%
• filters 5%
• operators 5%
• optimization 5%
• electronics 4%
• atoms 4%
• excitation 4%