搜索结果: 1-2 共查到“地质学 Ab initio calculation”相关记录2条 . 查询时间(0.093 秒)
Ab initio calculation of the pleochroism of fayalite
Ab initio calculation pleochroism fayalite
2012/4/5
Opticalpropertiesoffayalite,Fe SiO ,havebeenobtainedfromabinitiocalculationsonthebasisoftheself-consistentenergybandstructure.Thesemi-relativistic,extended
linear-augmentedplanewavemethod(ELAPW)wasus...
Ab initio calculation of electric-field--gradient tensors of forsterite
Ab initio calculation electric-field--gradient tensors forsterite
2012/4/5
Abinitio band-structure calculations based on the density functional theory have been performed for forsterite to obtain, witha parameter-free model, electric-field gradients for all nuclei. Calculati...
