New class IV charge model for extracting accurate partial charges from wave functions

Chemical Compounds

• Wave Function 100%
• Dipole Moment 79%
• Error 21%
• Polar Molecule 18%
• Electrostatic Potential 14%
• Density Functional Theory 8%
• Electron Particle 7%
• Reaction Yield 5%

Physics & Astronomy

• dipole moments 77%
• wave functions 66%
• root-mean-square errors 37%
• density functional theory 10%
• electrostatics 10%
• formalism 10%
• molecules 7%
• electrons 6%