Application of explicitly correlated coupled-cluster methods to molecules containing post-3d main group elements
出版年份 2011 全文链接
标题
Application of explicitly correlated coupled-cluster methods to molecules containing post-3d main group elements
作者
关键词
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出版物
MOLECULAR PHYSICS
Volume 109, Issue 22, Pages 2607-2623
出版商
Informa UK Limited
发表日期
2011-10-21
DOI
10.1080/00268976.2011.624129
参考文献
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- (2011) David Feller et al. JOURNAL OF CHEMICAL PHYSICS
- Molpro: a general-purpose quantum chemistry program package
- (2011) Hans-Joachim Werner et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Molecular core-valence correlation effects involving the post-d elements Ga–Rn: Benchmarks and new pseudopotential-based correlation consistent basis sets
- (2010) Kirk A. Peterson et al. JOURNAL OF CHEMICAL PHYSICS
- General implementation of the relativistic coupled-cluster method
- (2010) Huliyar S. Nataraj et al. JOURNAL OF CHEMICAL PHYSICS
- Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12
- (2010) Christof Hättig et al. JOURNAL OF CHEMICAL PHYSICS
- Scalar relativistic explicitly correlated R12 methods
- (2010) Florian A. Bischoff et al. JOURNAL OF CHEMICAL PHYSICS
- Explicitly correlated coupled cluster methods with pair-specific geminals
- (2010) Hans-Joachim Werner et al. MOLECULAR PHYSICS
- Benchmark Studies for Explicitly Correlated Perturbation- and Coupled Cluster Theories. javascript:filterformular(´3´)
- (2010) Hans-Joachim Werner et al. ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
- Optimized complementary auxiliary basis sets for explicitly correlated methods: aug-cc-pVnZ orbital basis sets
- (2009) Kazim E. Yousaf et al. CHEMICAL PHYSICS LETTERS
- Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets
- (2009) J. Grant Hill et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory
- (2009) Guntram Rauhut et al. JOURNAL OF CHEMICAL PHYSICS
- Simplified CCSD(T)-F12 methods: Theory and benchmarks
- (2009) Gerald Knizia et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate Calculations of Intermolecular Interaction Energies Using Explicitly Correlated Coupled Cluster Wave Functions and a Dispersion-Weighted MP2 Method†
- (2009) Oliver Marchetti et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Optimized auxiliary basis sets for explicitly correlated methods
- (2008) Kazim E. Yousaf et al. JOURNAL OF CHEMICAL PHYSICS
- Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B–Ne, and Al–Ar
- (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
- Explicitly correlated second-order perturbation theory calculations on molecules containing heavy main-group elements
- (2008) Florian A. Bischoff et al. THEORETICAL CHEMISTRY ACCOUNTS
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