Incorporation of a QM/MM buffer zone in the variational double self-consistent field method

Chemical Compounds

• Hartree-Fock Calculation 100%
• Polarization 61%
• Buffer Solution 53%
• Wave Function 47%
• Charge Density 39%
• Biopolymer 39%
• Molecular Dynamics 30%
• Electronic State 30%
• Charge Transfer 28%
• Force 27%
• Simulation 25%
• Energy 19%

Physics & Astronomy

• self consistent fields 82%
• buffers 68%
• polarization 43%
• electronic structure 40%
• biopolymers 34%
• field theory (physics) 27%
• charge transfer 23%
• fragments 23%
• flux density 21%
• interactions 21%
• wave functions 21%
• molecular dynamics 19%
• approximation 14%
• simulation 10%

Engineering & Materials Science

• Electronic structure 80%
• Polarization 74%
• Charge density 38%
• Biopolymers 37%
• Wave functions 37%
• Charge transfer 34%
• Molecular dynamics 30%
• Computer simulation 14%