Describing electron correlation effects in the framework of the elongation method—Elongation‐MP2: Formalism, implementation and efficiency
Describing electron correlation effects in the framework of the elongation method—Elongation‐MP2: Formalism, implementation and efficiency
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DOI：
10.1002/jcc.21462
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发表时间：
2009-12
影响因子：
3
通讯作者：
M. Makowski;J. Korchowiec;F. Gu;Y. Aoki
中科院分区：
文献类型：
--
作者：
M. Makowski;J. Korchowiec;F. Gu;Y. Aoki
提出了将延伸法推广到初始能级上描述电子相关效应的方法。讨论了伸长率- MP2方法的形式主义和实施。最后给出了模型系统的计算结果，说明了该方法的有效性和准确性。指出了进一步发展的方向。©2009 Wiley期刊公司计算机学报，2010
The extension of the elongation method into description of electron correlation effects at ab intio level is presented. The formalism and implementation of the elongation‐MP2 methodology is discussed. The results of calculations for model systems are presented to illustrate efficiency and accuracy of the method. Directions of the further development are highlighted. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010