Simple estimation of electron correlation energy for multi-atomic strong ionic compounds KX and （KX）

• 作 者: 禚淑苹 居冠之 韦吉崇 陈德展
• 出 处: 中国科学：化学英文版
• 发表日期: 2002年3期
• 关键词: intrapair and interpair ELECTRON CORRELATION multi-atomic ionic molecule inner c
• 基金项目: This work was supported by the National Natural Science Foundation of China (Grant Nos. 29873023 and 20173027).

On the basis of the calculations and analyses of the intrapair and interpair correlation energy of KX (X = OH, NC) molecules and the results of the transferability of both the innermost intrapair correlation energy and the inner core effect of K and X in