Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets
出版年份 2009 全文链接
标题
Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 131, Issue 19, Pages 194105
出版商
AIP Publishing
发表日期
2009-11-23
DOI
10.1063/1.3265857
参考文献
相关参考文献
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- Local explicitly correlated second-order perturbation theory for the accurate treatment of large molecules
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- Simplified CCSD(T)-F12 methods: Theory and benchmarks
- (2009) Gerald Knizia et al. JOURNAL OF CHEMICAL PHYSICS
- Auxiliary Basis Sets for Density-Fitted MP2 Calculations: Correlation-Consistent Basis Sets for the 4d Elements
- (2009) J. Grant Hill et al. Journal of Chemical Theory and Computation
- Assessment of basis sets for F12 explicitly-correlated molecular electronic-structure methods
- (2009) Florian A. Bischoff et al. MOLECULAR PHYSICS
- The geminal basis in explicitly correlated wave functions
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- New benchmarks for the second-order correlation energies of Ne and Ar through the finite element MP2 method
- (2008) Jesús R. Flores INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- The CCSD(T) complete basis set limit for Ne revisited
- (2008) Ericka C. Barnes et al. JOURNAL OF CHEMICAL PHYSICS
- Optimized auxiliary basis sets for explicitly correlated methods
- (2008) Kazim E. Yousaf et al. JOURNAL OF CHEMICAL PHYSICS
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- (2008) Kirk A. Peterson et al. JOURNAL OF CHEMICAL PHYSICS
- Explicitly correlated RMP2 for high-spin open-shell reference states
- (2008) Gerald Knizia et al. JOURNAL OF CHEMICAL PHYSICS
- A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures
- (2008) David Feller et al. JOURNAL OF CHEMICAL PHYSICS
- Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12¯ model
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- Quantitative quantum chemistry
- (2008) Trygve Helgaker et al. MOLECULAR PHYSICS
- Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions
- (2008) Oliver Marchetti et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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