Ab initio calculations
第一原理计算
第一原理赝势法
从头计算
Ab initio计算
理论计算
abinitio计算
从头算
ab initio MO calculations
almost number-multiply calculations
analyses and calculations
analysis and calculations of field and inductance
B3LYPDensity functional calculations
calculations of 3D temperature
calculations of different working conditions
calculations of flow field
calculations of mean air temperature
calculations of the inverse matrix
calculations on parameters
Calculations with high accuracy
checking calculations of stability