可极化力场学习笔记
Paper
Polarizable Force Fields for Biomolecular Simulations: Recent Advances and Applications
Z. Jing, C. Liu, S. Y. Cheng, R. Qi, B. D. Walker, J.-P. Piquemal, et al.
Annual Review of Biophysics 2019 Vol. 48 Issue 1 Pages 371-394
DOI: 10.1146/annurev-biophys-070317-033349
经典固定电荷力场的缺点(两大近似)：
1) 忽略了可极化作用：即在不同化学环境中电荷分布的改变
2）atom-centered point-charge model:
真实的体系中电荷的分布应该是平滑且具有各项异性的（smooth and anisotropic）
目前的电子极化（electronic polarization）模型可分为两类：
1）induced dipole, Drude Oscillator, charge-on-spring
2）charge flow between atoms (eg. flunctuation charge model)
