摘要
本文运用量子化学计算中的全略微分重叠方法(Complete Neglect of Differential Overlap简称CNDO方法),对花岗岩类岩石在单轴压力下直至破裂时因分子构型变化引起的分子轨道能级改变进行了计算,同时对含硅氧四面体岩石的破裂发射机制提出了理论解释.
The change of molecular-orbital energy level with the configuration of SiO4 letrahedra in granite subjected to uniaxial compression up to fracture has been calculated by using CNDO (complete neglect of differential overlap) method of Quantum-Chemistry. Implications to the interpretation of fractoemission effects are discussed.
出处
《地球物理学报》
SCIE
EI
CAS
CSCD
北大核心
1990年第4期424-429,共6页
Chinese Journal of Geophysics
基金
国家自然科学基金
关键词
花岗岩
破裂
发射
量子化学模型
Fractoemission, CNDO method, Quantum-chemistry models.
