Testing calculations show that VB-MP2 method has the qualities of a VB method along with a quantitative advantage over VB-only method in comparison with traditional core-valence separation.
测试计算表明,该方法保持了价键方法的特点,且计算结果比传统的使用芯-价分离技术的价键方法有较大的改善。
Testing calculations show that VB-MP2 method has the qualities of a VB method along with a quantitative advantage over VB-only method in comparison with traditional core-valence separation.
测试计算表明,该方法保持了价键方法的特点,且计算结果比传统的使用芯-价分离技术的价键方法有较大的改善。
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