STRUCTURES,PROPERTIES AND QUANTUM CHEMISTRY STUDIES OF As-S-X (X=Cl,Br,I) AND As-Y-Br(Y=S,Se,Te) GLA

• 作 者: 闵新民 赵修建
• 机 构: WUHANUNIVTECHNOL
• 出 处: 武汉理工大学学报：材料科学英文版
• 发表日期: 1996年2期
• 关键词: chalcohalide glass structure and prop-erty quantum chemistry chalcohalide glass

As-S-X(X=Cl,Br,I)and As-Y-Br(Y=S,Se,Te)glasses are studied with Self-Consistent-Field Dis-crete Variational X_α(SCF-DV-X_α),one of the molecule orbital.calculating methods in quantum chemistry.The chemicalbonding is studied to discuss the relations betwee