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Study of Be2 with Many-Body Perturbation Theory and a Coupled-Cluster Method Including Triple Excitations

机译：具有多体微扰理论的Be2和包含三重激发的耦合聚类方法研究

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作者
Lee, Y. S.; Bartlett, R. J.;
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年度 1984
页码 p.1-8
总页数 8
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Excitation; Dimers; Beryllium; Perturbation theory; Clustering; Potential energy; Reprints;

机译：激发;二聚体;铍;微扰理论;聚类;势能;重印;

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专利

1. ANALYTIC ENERGY GRADIENTS WITH FROZEN MOLECULAR ORBITALS IN COUPLED-CLUSTER AND MANY-BODY PERTURBATION THEORY METHODS - SYSTEMATIC STUDY OF THE MAGNITUDE AND TRENDS OF THE EFFECTS OF FROZEN MOLECULAR ORBITALS [J] . Baeck KK., Bartlett RJ., Watts JD. The Journal of Chemical Physics . 1997,第10期

机译：耦合分子和多体微扰理论方法中具有冻结分子轨道的解析能量梯度-冻结分子轨道效应的趋势和趋势的系统研究
2. Alternative perturbation theories for triple excitations in coupled-cluster theory [J] . Molecular Physics . 2010,第21a23期

机译：耦合簇理论中三重激发的替代扰动理论
3. Alternative perturbation theories for triple excitations in coupled-cluster theory [J] . Taube A.G. Molecular physics . 2010,第21a23期

机译：耦合簇理论中三重激发的替代扰动理论
4. Kinetics Study of Reaction CH_3N·NH_2+OH by Multireference Second-Order Perturbation Theory and Multireference Coupled-Cluster Theory [C] . Hongyan Sun, Chung K. Law, Karol Kowalski, US National Combustion Meeting . 2013

机译：通过多力学二阶扰动理论和多推导耦合簇理论，反应CH_3N·NH_2 + OH的动力学研究
5. Single-reference coupled-cluster methods employing multi-reference perturbation theory [D] . Lodriguito, Maricris D. 2007

机译：多参考摄动理论的单参考耦合群方法
6. Calculation of Heats of Formation for Zn Complexes: Comparison of Density Functional Theory Second Order Perturbation Theory Coupled-Cluster and Complete Active Space Methods [O] . Michael N. Weaver, Kenneth M. Merz Jr., Dongxia Ma, -1

机译：锌配合物的形成热的计算：密度泛函理论二阶微扰理论耦合簇和完全有源空间方法的比较
7. A Comparative Assessment of the Perturbative and Renormalized Coupled Cluster Theories with a Non-Iterative Treatment of Triple Excitations for Thermochemical Kinetics, Including a Study of Basis Set and Core Correlation Effects [O] . Jingjing Zheng, Jeffrey R. Gour, Jesse J. Lutz, 2007

机译：微扰和重整化耦合团簇理论的比较评估与非迭代处理三重激发的热化学动力学，包括基础集和核心相关效应的研究
8. Analytic Energy Gradients for General Coupled-Cluster Methods and Fourth-Order Many-Body Perturbation Theory [R] . Fitzgerald, G., Harrison, R. J., Bartlett, R. J. 1986

机译：一般耦合聚类方法的分析能量梯度与四阶多体微扰理论

Study of Be2 with Many-Body Perturbation Theory and a Coupled-Cluster Method Including Triple Excitations

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