Robust fitting techniques in the chain of spheres approximation to the Fock exchange: The role of the complementary space
出版年份 2013 全文链接
标题
Robust fitting techniques in the chain of spheres approximation to the Fock exchange: The role of the complementary space
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 139, Issue 9, Pages 094111
出版商
AIP Publishing
发表日期
2013-09-06
DOI
10.1063/1.4819264
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。- Discrete variable representation in electronic structure theory: Quadrature grids for least-squares tensor hypercontraction
- (2013) Robert M. Parrish et al. JOURNAL OF CHEMICAL PHYSICS
- Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2
- (2013) Edward G. Hohenstein et al. JOURNAL OF CHEMICAL PHYSICS
- A composite ‘density fitting + numerical integration’ approximation for electron-repulsion integrals
- (2013) Andrey Yachmenev et al. MOLECULAR PHYSICS
- Speeding up spin-component-scaled third-order pertubation theory with the chain of spheres approximation: the COSX-SCS-MP3 method
- (2013) Róbert Izsák et al. MOLECULAR PHYSICS
- Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions
- (2012) Edward G. Hohenstein et al. JOURNAL OF CHEMICAL PHYSICS
- Tensor hypercontraction. II. Least-squares renormalization
- (2012) Robert M. Parrish et al. JOURNAL OF CHEMICAL PHYSICS
- Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory
- (2012) Edward G. Hohenstein et al. JOURNAL OF CHEMICAL PHYSICS
- The resolution of identity and chain of spheres approximations for the LPNO-CCSD singles Fock term
- (2012) Róbert Izsák et al. MOLECULAR PHYSICS
- An overlap fitted chain of spheres exchange method
- (2011) Róbert Izsák et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient time-dependent density functional theory approximations for hybrid density functionals: Analytical gradients and parallelization
- (2011) Taras Petrenko et al. JOURNAL OF CHEMICAL PHYSICS
- The ORCA program system
- (2011) Frank Neese Wiley Interdisciplinary Reviews-Computational Molecular Science
- Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 Method
- (2010) Simone Kossmann et al. Journal of Chemical Theory and Computation
- A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions − Assessment of Common and Reparameterized (meta-)GGA Density Functionals
- (2009) Lars Goerigk et al. Journal of Chemical Theory and Computation
- Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
- (2008) Frank Neese et al. 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
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