sham'BNC²³⁶²¹³⁺¹ 例句 The self- consistent band structure, total and partial density of states for the stable compounds hcp- WC and MoC are calculated by the LMTO- ASA method based on Kohn- Sham' s LDF theory. 本文基于局域密度泛函理论 LDF和 LMTO- ASA方法，计算了稳定的六角结构碳化钨和碳化钼的自洽能带结构，总态密度和分波态密度。 cnki