Electrostatically embedded many-body expansion for large systems, with applications to water clusters

Physics & Astronomy

• fragments 100%
• expansion 74%
• water 67%
• molecular clusters 31%
• quantum chemistry 29%
• trimers 28%
• energy 27%
• molecules 25%
• linearity 22%
• dimers 21%
• interactions 18%
• electrostatics 18%
• electronic structure 17%
• scaling 16%
• gradients 15%
• approximation 12%

Engineering & Materials Science

• Molecules 76%
• Water 64%
• Quantum chemistry 62%
• Dimers 59%
• Electronic structure 58%
• Iterative methods 42%
• Electrostatics 41%
• Environmental impact 37%

Chemical Compounds

• Error 66%
• Energy 55%
• Molecular Charge 41%
• Application 37%
• Quantum Chemistry 32%
• Tetramer 29%
• Trimer 29%
• Electronic State 21%