标题
Local relativistic exact decoupling
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 136, Issue 24, Pages 244108
出版商
AIP Publishing
发表日期
2012-06-28
DOI
10.1063/1.4729788
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。- Exact decoupling of the relativistic Fock operator
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- Calculation of Hyperfine Tensors and Paramagnetic NMR Shifts Using the Relativistic Zeroth-Order Regular Approximation and Density Functional Theory
- (2011) Jochen Autschbach et al. Journal of Chemical Theory and Computation
- Scalar Relativistic Computations of Nuclear Magnetic Shielding andg-Shifts with the Zeroth-Order Regular Approximation and Range-Separated Hybrid Density Functionals
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- MOLCAS 7: The Next Generation
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- New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3
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