A discrete solvent reaction field model within density functional theory

Keyphrases

• Density Functional Theory 100%
• Solvent Reaction Field 100%
• Field Model 100%
• Solvent Molecules 66%
• Solute 33%
• Charge Distribution 33%
• Quantum Mechanical 33%
• Reaction Field 33%
• Atomic Polarizability 33%
• Electronic Charge 33%
• Classical Representation 33%
• Many-body Interactions 33%

Chemistry

• Density Functional Theory 100%
• Solvent Molecule 66%
• Charge Distribution 33%
• electronics 33%
• Polarizability 33%

Physics

• Density Functional Theory 100%
• Charge Distribution 33%