【在 o********l 的大作中提到】 : what is the definition of "electron" and "molecule"?
l*r
4 楼
what are the definitions of "by-electron" and "by-molecule"? hehe
【在 p***e 的大作中提到】 : 电子 : 分子
p*e
5 楼
don't know
【在 l*r 的大作中提到】 : what are the definitions of "by-electron" and "by-molecule"? hehe
O*e
6 楼
Full sentence or context? I think you are probably talking about ab initio chemistry simulations based on quantum mechanics (calculating electron density function by solving the Schroedinger equation), versus molecular dynamics or Monte Carlo simulations based on classical mechanics (calculating molecular configurations and trajectories by solving Newton's or Hamiltonian's equations). However, I have never heard anyone call these "by-electron" or "by-molecule" modeling.