Frozen Density Embedding with External Orthogonality in Delocalized Covalent Systems

Physics & Astronomy

• orthogonality 81%
• embedding 68%
• orbitals 28%
• density functional theory 20%
• benzene 13%
• flux density 10%
• kinetic energy 10%
• projection 10%
• operators 9%
• cycles 8%
• shift 8%
• molecules 7%
• energy 3%

Engineering & Materials Science

• Density functional theory 100%
• Charge density 47%
• Benzene 40%
• Kinetic energy 35%
• Molecules 32%

Chemical Compounds

• Orbital 55%
• Kinetic Energy 25%
• Charge Density 21%
• Benzene 15%
• Density Functional Theory 13%
• Energy 10%
• Molecule 7%