从头计算法
ab-initio calculation
ab initio calculation
ab inito
ab initio calculation method
Ab initio method
ab initio
从头算理论方法
ab initio theoretical method
从头算两态势能面
ab initio potential energy surface of two electronic states
从头再奏一遍
da capo senza repetizione
从头算分子动力学AIMD
ab initio molecular dynamics AIMD
从头至尾
from cover to cover
from title page to colophon