首页> 美国政府科技报告 >Many-Body Perturbation Theory Electronic Structure Calculations for the Methoxy Radical. I. Determination of Jahn-Teller Energy Surfaces, Spin-Orbit Splitting, and Zeeman Effect.

【24h】

Many-Body Perturbation Theory Electronic Structure Calculations for the Methoxy Radical. I. Determination of Jahn-Teller Energy Surfaces, Spin-Orbit Splitting, and Zeeman Effect.

机译：甲氧自由基的多体扰动理论电子结构计算。 I. Jahn-Teller能量表面的确定，自旋轨道分裂和塞曼效应。

获取原文

页面导航

摘要
著录项
引文网络
相似文献
相关主题

摘要

No abstract available.

著录项

作者
Bent, G. D.; Adams, G. F.; Bartram, R. H.; Purvis, G. D.; Bartlett, R. J.;
展开▼
作者单位

展开▼
年度 1981
页码 1-14
总页数 14
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Electronic states; Computations; Perturbation theory; Oxides; Methyl radicals; Spin states; Molecular orbitals; Reprints; Spin orbit splitting; Zeeman effect; Energy surfaces; Jahn Teller energy surfaces; Methoxy radicals;

机译：电子态;计算;微扰理论;氧化物;甲基;自旋态;分子轨道;重印;自旋轨道分裂;塞曼效应;能量表面; Jahn Teller能量表面;甲氧基;

相似文献

外文文献
中文文献

1. The electronic spectrum of the fluoroborane free radical. I. Theoretical calculation of the vibronic energy levels of the ground and first excited electronic states [J] . Fumie X. Sunahori, Dennis J. Clouthier, Stuart Carter, The Journal of Chemical Physics . 2009,第16期

机译：氟硼烷自由基的电子光谱。一，基态和第一激发电子态的振动能级的理论计算
2. Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(root 3 x root 3)R30 degrees Surface [J] . Fleszar Andrzej, Hanke Werner Advances in condensed matter physics . 2015,第Pta1期

机译：具有大自旋轨道分裂的二维金属性：Au / Ge（111）-（根3 x根3）R30度表面的原子，电子和自旋结构的DFT计算
3. Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)-(3×3)R30°Surface [J] . AndrzejFleszar, WernerHanke Advances in condensed matter physics . 2015,第1期

机译：具有大自旋轨道分裂的二维金属性：Au / Ge（111）-（3×3）R30°表面的原子，电子和自旋结构的DFT计算
4. Theory of large-scale electronic structure calculation and nanostructures formed in silicon cleavage simulation: surface reconstruction, step and bending [C] . Takeo Hoshi, Yusuke Iguchi, Takeo Fujiwara Symposium Proceedings vol.832; Symposium on Group-IV Semiconductor Nanostructures; 20041129-1202; Boston,MA(US) . 2004

机译：大规模电子结构计算理论和硅分裂模拟中形成的纳米结构：表面重建，台阶和弯曲
5. Electrostatically Embedded Many-Body Correlation Energy, with Applications to the Calculation of Accurate Second-Order MØller-Plesset Perturbation Theory Energies for Large Water Clusters [O] . Erin E. Dahlke, Donald G. Truhlar 2007

机译：静电嵌入多体相关能量，用于计算大型水团簇的精确二阶m≤ller-plesset扰动理论能量
6. Many-Body Perturbation Theory Electronic Structure Calculations for the Methoxy Radical. I. Determination of Jahn-Teller Energy Surfaces, Spin-Orbit Splitting, and Zeeman Effect [R] . Bent, G. D., Adams, G. F., Bartram, R. H., 1981

机译：甲氧自由基的多体扰动理论电子结构计算。 I. Jahn-Teller能量表面的确定，自旋轨道分裂和塞曼效应

Many-Body Perturbation Theory Electronic Structure Calculations for the Methoxy Radical. I. Determination of Jahn-Teller Energy Surfaces, Spin-Orbit Splitting, and Zeeman Effect.

摘要

著录项

引文网络

相似文献

相关主题

期刊订阅