Field theoretic approach to dynamical orbital localization in ab initio molecular dynamics

Physics & Astronomy

• molecular dynamics 64%
• orbitals 62%
• equations of motion 38%
• hydrogen chlorides 21%
• molecules 15%
• ingredients 15%
• fixing 15%
• boxes 14%
• emerging 13%
• kinetic energy 11%
• scaling 10%
• formulations 10%
• water 8%

Engineering & Materials Science

• Gages 87%
• Equations of motion 49%
• Molecules 34%
• Kinetic energy 18%
• Program processors 15%
• Hydrogen 14%
• Set theory 11%
• Water 9%

Chemical Compounds

• Orbital 73%
• Molecular Dynamics 65%
• Lagrangian 47%
• Kinetic Energy 17%
• Reaction Yield 6%