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  5. All-electron ab initio calculations of YBa<sub>2</sub>Cu<sub>3</sub>O<sub

All-electron ab initio calculations of YBa<sub>2</sub>Cu<sub>3</sub>O<sub

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：wsx19810518
【摘 要】
：
The quantum chemical calculations of cluster YBa<sub>2</sub>Cu<sub>3</sub>O<sub>7</sub> considering all electrons have been per-formed by using the ab initio HF
【作 者】
：
刘洪霖 陈念贻 
【机 构】
：
ShanghaiInstituteofMetallurgy
【出 处】
：
中国科学：化学英文版
【发表日期】
：
1995年8期
【关键词】
：
YBa<sub>2</sub>Cu<sub>3</sub>O<sub>7</sub> s 
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The quantum chemical calculations of cluster YBa<sub>2</sub>Cu<sub>3</sub>O<sub>7</sub> considering all electrons have been per-formed by using the ab initio HF method with self-consistence crystal field.A Hartree-Fork
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