The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water

Physics & Astronomy

• angular distribution 10%
• configurations 6%
• density functional theory 9%
• dipole moments 11%
• distribution functions 10%
• electrostatics 9%
• functionals 11%
• hierarchies 12%
• hydrogen bonds 26%
• inclusions 19%
• interactions 35%
• interstitials 10%
• liquid phases 10%
• liquids 47%
• molecular dynamics 27%
• molecules 6%
• oxygen 53%
• radial distribution 13%
• simulation 24%
• stabilization 10%
• water 50%

Chemical Compounds

• Correlation Function 23%
• Density Functional Theory 11%
• Dipole Moment 16%
• Exchange Interaction 100%
• Hydrogen Bond 21%
• Interstitial 18%
• Liquid 9%
• Molecular Dynamics 39%
• Molecule 6%
• Radial Distribution Function 21%
• Reaction Yield 14%
• Simulation 56%
• Strength 11%
• Structure Factor 22%