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CONNECTED TRIPLE EXCITATIONS IN THE EQUATION-OF-MOTION COUPLED CLUSTER CALCULATIONS OF THE ENERGIES AND PROPERTIES OF EXCITED STATES: HCN MOLECULE*

机译：在激发状态的动力和性质的动作方程耦合簇计算中连接的三重激发：HCN分子*

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MARTA WLOCH; MONIKA MUSIAL;
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年度 2003
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1. CONNECTED TRIPLE EXCITATIONS IN THE EQUATION-OF-MOTION COUPLED CLUSTER CALCULATIONS OF THE ENERGIES AND PROPERTIES OF EXCITED STATES: HCN MOLECULE* [J] . W?och Marta, Musia? Monika, Kucharski Stanis?aw A. Computational Methods in Science and Technologygy . 2003,第1期

机译：运动方程耦合群计算中激发态的能量和性质的三重连接激发：HCN分子*
2. Connected triple excitations in the calculation of the adiabatic excitation energies in the equation-of-motion coupled cluster theory [J] . Musial M, Kucharski SA Structural Chemistry . 2004,第5期

机译：运动方程耦合聚类理论中绝热激发能计算中的连通三重激发
3. Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method [J] . Kucharski SA., Musial M., Bartlett RJ., The Journal of Chemical Physics . 2001,第18期

机译：激发电子态的耦合簇理论：完整的运动方程耦合簇单，双和三激发方法
4. VIBRATIONALLY AVERAGED LONG-RANGE MOLECULE-MOLECULE DISPERSION COEFFICIENTS FROM COUPLED-CLUSTER CALCULATIONS [C] . MATTHEW SCHMIDT, MARCEL NOOIJEN International Symposium on Molecular Spectroscopy . 2011

机译：耦合簇计算的振动平均远程分子分子分子分子分子分子分子
5. Assessment of Equation-of-Motion Coupled-Cluster Methods with Approximate Treatments of Higher-Order Excitations and Development of Novel Schemes for Accurate Calculations of Diradical Electronic Spectra and Bond Breaking [D] . Ajala, Adeayo Olayinka 2017

机译：运动方程耦合簇方法的评估和高阶激励的近似处理，并开发了精确计算双基电子光谱和键断裂的新方案
6. Reduction of the virtual space for coupled-cluster excitation energies of large molecules and embedded systems [O] . Robert Send, Ville R. I. Kaila, Dage Sundholm -1

机译：减少大分子和嵌入式系统耦合簇激发能的虚拟空间
7. Connected triple excitations in coupled-cluster calculations of hyperpolarizabilities: Neon [O] . Rice Julia E., Almloef Jan, Taylor Peter R., 1992

机译：超极化率的耦合簇计算中的连接三重激发：氖
8. Economical Triple Excitation Equation-of-Motion Coupled-Cluster Methods forExcitation Energies [R] . Watts, J. D., Bartlett, R. J. 1995

机译：激发能量的经济三重激励方程耦合 - 聚类方法

CONNECTED TRIPLE EXCITATIONS IN THE EQUATION-OF-MOTION COUPLED CLUSTER CALCULATIONS OF THE ENERGIES AND PROPERTIES OF EXCITED STATES: HCN MOLECULE*

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