标题
An efficient linear-scaling CCSD(T) method based on local natural orbitals
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 139, Issue 9, Pages 094105
出版商
AIP Publishing
发表日期
2013-09-06
DOI
10.1063/1.4819401
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Sparse tensor framework for implementation of general local correlation methods
- (2013) Daniel Kats et al. JOURNAL OF CHEMICAL PHYSICS
- The orbital-specific virtual local triples correction: OSV-L(T)
- (2013) Martin Schütz et al. JOURNAL OF CHEMICAL PHYSICS
- An efficient and near linear scaling pair natural orbital based local coupled cluster method
- (2013) Christoph Riplinger et al. JOURNAL OF CHEMICAL PHYSICS
- Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory
- (2012) Yuki Kurashige et al. JOURNAL OF CHEMICAL PHYSICS
- NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals
- (2012) Stefan Loibl et al. JOURNAL OF CHEMICAL PHYSICS
- The orbital-specific-virtual local coupled cluster singles and doubles method
- (2012) Jun Yang et al. JOURNAL OF CHEMICAL PHYSICS
- Second-Order Møller–Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach
- (2012) Mauro Del Ben et al. Journal of Chemical Theory and Computation
- Comparison of explicitly correlated local coupled-cluster methods with various choices of virtual orbitals
- (2012) Christine Krause et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme
- (2012) Kasper Kristensen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- An explicitly correlated local coupled cluster method for calculations of large molecules close to the basis set limit
- (2011) Thomas B. Adler et al. JOURNAL OF CHEMICAL PHYSICS
- An efficient local coupled cluster method for accurate thermochemistry of large systems
- (2011) Hans-Joachim Werner et al. JOURNAL OF CHEMICAL PHYSICS
- A general-order local coupled-cluster method based on the cluster-in-molecule approach
- (2011) Zoltán Rolik et al. JOURNAL OF CHEMICAL PHYSICS
- Tensor factorizations of local second-order Møller–Plesset theory
- (2011) Jun Yang et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals
- (2011) Andreas Hansen et al. JOURNAL OF CHEMICAL PHYSICS
- Linear scaling coupled cluster method with correlation energy based error control
- (2010) Marcin Ziółkowski et al. JOURNAL OF CHEMICAL PHYSICS
- Multilevel Extension of the Cluster-in-Molecule Local Correlation Methodology: Merging Coupled-Cluster and Møller−Plesset Perturbation Theories
- (2010) Wei Li et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Improved Design of Orbital Domains within the Cluster-in-Molecule Local Correlation Framework: Single-Environment Cluster-in-Molecule Ansatz and Its Application to Local Coupled-Cluster Approach with Singles and Doubles†
- (2010) Wei Li et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Diffusion of Atomic Oxygen on the Si(100) Surface
- (2010) Pooja Arora et al. Journal of Physical Chemistry C
- A sparse framework for the derivation and implementation of fermion algebra
- (2010) John A. Parkhill et al. MOLECULAR PHYSICS
- Analytical nuclear gradients of the explicitly correlated Møller–Plesset second-order energy
- (2010) Sebastian Höfener et al. MOLECULAR PHYSICS
- On the use of shifted Jacobi polynomials in accurate evaluation of roots and weights of Rys polynomials
- (2009) N. Flocke JOURNAL OF CHEMICAL PHYSICS
- Cholesky-decomposed densities in Laplace-based second-order Møller–Plesset perturbation theory
- (2009) Jan Zienau et al. JOURNAL OF CHEMICAL PHYSICS
- Linear-scaling atomic orbital-based second-order Møller–Plesset perturbation theory by rigorous integral screening criteria
- (2009) Bernd Doser et al. JOURNAL OF CHEMICAL PHYSICS
- Local correlation calculations using standard and renormalized coupled-cluster approaches
- (2009) Wei Li et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis
- (2009) Frank Neese et al. JOURNAL OF CHEMICAL PHYSICS
- Local explicitly correlated second-order perturbation theory for the accurate treatment of large molecules
- (2009) Thomas B. Adler et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method
- (2009) Frank Neese et al. JOURNAL OF CHEMICAL PHYSICS
- Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations
- (2008) Masato Kobayashi et al. JOURNAL OF CHEMICAL PHYSICS
- Linear scaling multireference singles and doubles configuration interaction
- (2008) Tsz S. Chwee et al. JOURNAL OF CHEMICAL PHYSICS
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