标题
Development of nuclear basis sets for multicomponent quantum chemistry methods
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 152, Issue 24, Pages 244123
出版商
AIP Publishing
发表日期
2020-06-26
DOI
10.1063/5.0009233
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Quantifying Multireference Character in Multicomponent Systems with Heat-Bath Configuration Interaction
- (2020) Kurt R. Brorsen Journal of Chemical Theory and Computation
- Multicomponent Orbital-Optimized Perturbation Theory Methods: Approaching Coupled Cluster Accuracy at Lower Cost
- (2020) Fabijan Pavošević et al. Journal of Physical Chemistry Letters
- Molecular Vibrational Frequencies within the Nuclear–Electronic Orbital Framework
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- Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride
- (2019) Fabijan Pavošević et al. JOURNAL OF CHEMICAL PHYSICS
- Multicomponent density functional theory with density fitting
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- Multicomponent coupled cluster singles and doubles and Brueckner doubles methods: Proton densities and energies
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- Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies
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- Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital Framework
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- Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities
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- Theoretical calculation of polarizability isotope effects
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- Atomic orbital basis sets
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- Theory of Coupled Electron and Proton Transfer Reactions
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- Review of multicomponent molecular orbital method for direct treatment of nuclear quantum effect
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