Communication: Multipole approximations of distant pair energies in local correlation methods with pair natural orbitals
出版年份 2016 全文链接
标题
Communication: Multipole approximations of distant pair energies in local correlation methods with pair natural orbitals
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 145, Issue 20, Pages 201101
出版商
AIP Publishing
发表日期
2016-11-23
DOI
10.1063/1.4968595
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。- SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory
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- Scalable Electron Correlation Methods I.: PNO-LMP2 with Linear Scaling in the Molecular Size and Near-Inverse-Linear Scaling in the Number of Processors
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- Experimental and Theoretical Study of a Gold(I) Aminonitrene Complex in the Gas Phase
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- Ionization energies of water from PNO-CI calculations
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- Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B–Ne, and Al–Ar
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