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Single-Determinant Theory of Electronic Excited States and Many-Electron Integrals for Explicitly Correlated Methods

机译：显式相关方法的电子激发态单决定论和多电子积分

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作者
Barca, Giuseppe Maria Junior;
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作者单位

The Australian National University (Australia);

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授予单位 The Australian National University (Australia);
学科
学位 Ph.D.
年度 2017
页码 281 p.
总页数 281
原文格式 PDF
正文语种 eng
中图分类
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1. Computational method of many-electron integrals over explicitly correlated Cartesian Gaussian functions [J] . Shiro L.Saito, Yoshi-ichi Suzuki The Journal of Chemical Physics . 2001,第3期

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2. Density fitting for three-electron integrals in explicitly correlated electronic structure theory [J] . James C. Womack, Frederick R. Manby The Journal of Chemical Physics . 2014,第4期

机译：显式相关电子结构理论中三电子积分的密度拟合
3. Efficient Explicitly Correlated Many-Electron Perturbation Theory for Solids: Application to the Schottky Defect in MgO [J] . Grueneis Andreas Physical review letters . 2015,第6期

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4. An Explicitly Correlated Wavelet Method for the Electronic Schrodinger Equation [C] . Markus Bachmayr International Conference on Numerical Analysis and Applied Mathematics . 2010

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5. Advancing Ab Initio Electronic Structure Theory and Computational Methods for Excited State Molecular Dynamics [D] . Song, Chenchen. 2018

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6. Excited-State Electronic Structure with Configuration Interaction Singles and Tamm–Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units [O] . Christine M. Isborn, Nathan Luehr, Ivan S. Ufimtsev, -1

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7. Density fitting for three-electron integrals in explicitly correlated electronic structure theory [O] . Womack James C., Manby Frederick R. 100

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Single-Determinant Theory of Electronic Excited States and Many-Electron Integrals for Explicitly Correlated Methods

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