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The Quartic Force Field of H(2)O Determined by Many-Body Methods that Include Quadruple Excitation Effects

机译：H（2）O的四次力场由包含四次激发效应的多体方法决定

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Bartlett, R. J.; Shavitt, I.; Purvis, G. D.;
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年度 1979
页码 p.1-12
总页数 12
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Potential energy; Water; Perturbation theory; Clustering; Quantum chemistry; Reprints;

机译：势能;水;微扰理论;聚类;量子化学;重印;

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1. Size-extensive quadratic CI methods including quadruple excitations: QCISDTQ and QCISDTQ(6) - On the importance of four-electron correlation effects [J] . He Yuan, He Zhi Chemical Physics Letters . 2000,第6期

机译：包括四重激发在内的尺寸扩展的二次CI方法：QCISDTQ和QCISDTQ（6）-关于四电子相关效应的重要性
2. Effective field theory with genuine many-body forces and tidal effects on neutron stars [J] . M. Razeira, D. Hadjimichef, M. V. T. Machado, Astronomische Nachrichten: A Journal on all Fields of Astronomy . 2019,第1a3期

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3. Dynamically Induced Frustration as a Route to a Quantum Spin Ice State in Tb_2Ti_2O_7 via Virtual Crystal Field Excitations and Quantum Many-Body Effects [J] . Hamid R. Molavian, Michel J. P. Gingras, Benjamin Canals Physical review letters . 2007,第15期

机译：通过虚拟晶体场激发和量子多体效应动态诱导的挫折感成为在Tb_2Ti_2O_7中达到量子自旋冰态的途径
4. Solvent Electronic Polarization Effects on a Charge Transfer Excitation Studied by the Mean-Field QM/MM Method [C] . Hiroshi Nakano International Conference of Computational Methods in Sciences and Engineering . 2015

机译：溶剂电子偏振效应对平均场QM / MM法研究的电荷转移激发
5. The equidistribution of lattice shapes of rings of integers of cubic, quartic, and quintic number fields: An artist's rendering. [D] . Harron, Piper Alexis. 2016

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6. A Simple Method for Including Polarization Effectsin Solvation Free Energy Calculations When Using Fixed-Charge ForceFields: Alchemically Polarized Charges [O] . Braden D. Kelly, William R. Smith 2020

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7. Dynamically-Induced Frustration as a Route to a Quantum Spin Ice State in Tb2Ti2O7 via Virtual Crystal Field Excitations and Quantum Many-Body Effects [O] . Molavian, Hamid R., Gingras, Michel J. P., Canals, Benjamin 2006

机译：动态诱导的挫折作为量子自旋冰态的途径在Tb2Ti2O7中通过虚拟晶体场激发和量子多体效果
8. Many-Body Perturbation Theory, Coupled-Pair Many-Electron Theory, and the Importance of Quadruple Excitations for the Correlation Problem. [R] . Bartlett, R. J., Purvis, G. D. 1978

机译：多体微扰理论，耦合对多电子理论，以及四重激发对相关问题的重要性。

The Quartic Force Field of H(2)O Determined by Many-Body Methods that Include Quadruple Excitation Effects

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