FOHI-D: An iterative Hirshfeld procedure including atomic dipoles

Keyphrases

• Hirshfeld 100%
• Atomic Dipoles 100%
• Stockholder 75%
• Electrostatic Potential 50%
• Dipole Moment 50%
• Atomic Charges 50%
• Partitioning Method 25%
• Electric Field (E-field) 25%
• Iterative Scheme 25%
• I-method 25%
• Hirshfeld-I 25%
• SCF Calculations 25%
• Charge-dipole Interaction 25%
• Multipole Expansion 25%
• Hydrogen Atom 25%
• Group Electronegativity 25%
• Molecular Electrostatic Potential 25%
• Fractional Occupation 25%
• Potential-based 25%
• Chlorine Atom 25%

Physics

• Electrostatics 100%
• Dipole Moment 66%
• Electric Fields 33%
• Multipole 33%
• Self Consistent Field 33%

Engineering

• Electrostatic Potential 100%
• Dipole Moment 66%
• Electric Field 33%
• Electronegativity 33%
• Fractional Method 33%