Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests

Physics & Astronomy

• performance tests 85%
• embedding 68%
• wave functions 52%
• density functional theory 25%
• orbitals 5%
• potential theory 4%
• complex systems 4%
• partitions 3%
• costs 2%
• electronic structure 2%
• hydrogen 2%
• approximation 1%
• ions 1%
• performance 1%
• electrons 1%
• interactions 1%

Engineering & Materials Science

• Density functional theory 100%
• Wave functions 92%
• Electronic structure 11%
• Hydrogen bonds 10%
• Electrons 7%
• Ions 6%
• Large scale systems 6%
• Costs 2%

Chemical Compounds

• Wave Function 78%
• Error 50%
• Density Functional Theory 41%
• Gaussian Type Orbital 24%
• Partition 7%
• Electronic State 5%
• Hydrogen 3%