Theoretical study on the size consistency of the second and third order energies of the multireferen

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：software222

【摘要】

：

The size consistency of the second and third order energies of the multireference perturbation theory(Chen F, Davidson E, Iwata S. Int J Quant Chem, 2002, 86: 2

【作者】

：

FeiWu Chen (1)

【机构】

：

1.DepartmentofChemistry

【出处】

：

中国科学：化学英文版

【发表日期】

：

2007年4期

【关键词】

：

size CONSISTENCY MULTIREFERENCE PERTURBATION theory size consistency multirefere

【基金项目】

：

Supported by the National Natural Science Foundation of China (Grant No. 20473011),the University of Science and Technology Beijing (Grant No. 00007414),the Ministry of Education of China (Grant No. 1

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The size consistency of the second and third order energies of the multireference perturbation theory(Chen F, Davidson E, Iwata S. Int J Quant Chem, 2002, 86: 256) is investigated theoretically with a su-per-molecular model composed of N-hydrogen molecule

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