标题
Communication: Improved pair approximations in local coupled-cluster methods
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 142, Issue 12, Pages 121102
出版商
AIP Publishing
发表日期
2015-03-29
DOI
10.1063/1.4916316
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。- Scalable Electron Correlation Methods I.: PNO-LMP2 with Linear Scaling in the Molecular Size and Near-Inverse-Linear Scaling in the Number of Processors
- (2015) Hans-Joachim Werner et al. Journal of Chemical Theory and Computation
- Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory
- (2015) Dimitrios G. Liakos et al. Journal of Chemical Theory and Computation
- Efficient and accurate treatment of weak pairs in local CCSD(T) calculations. II. Beyond the ring approximation
- (2014) Martin Schütz et al. JOURNAL OF CHEMICAL PHYSICS
- Explicitly correlated PNO-MP2 and PNO-CCSD and their application to the S66 set and large molecular systems
- (2014) Gunnar Schmitz et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A pair natural orbital based implementation of ADC(2)-x: Perspectives and challenges for response methods for singly and doubly excited states in large molecules
- (2014) Benjamin Helmich et al. Computational and Theoretical Chemistry
- Efficient and accurate treatment of weak pairs in local CCSD(T) calculations
- (2013) Oliver Masur et al. JOURNAL OF CHEMICAL PHYSICS
- A pair natural orbital implementation of the coupled cluster model CC2 for excitation energies
- (2013) Benjamin Helmich 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
- Natural triple excitations in local coupled cluster calculations with pair natural orbitals
- (2013) Christoph Riplinger 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
- The divide–expand–consolidate MP2 scheme goes massively parallel
- (2013) Kasper Kristensen et al. MOLECULAR PHYSICS
- Pair natural orbitals in explicitly correlated second-order møller-plesset theory
- (2012) David P. Tew et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- The divide-expand-consolidate family of coupled cluster methods: Numerical illustrations using second order Møller-Plesset perturbation theory
- (2012) Ida-Marie Høyvik et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme
- (2012) Kasper Kristensen 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
- Local explicitly correlated second- and third-order Møller–Plesset perturbation theory with pair natural orbitals
- (2012) Christof Hättig 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
- A refined cluster-in-molecule local correlation approach for predicting the relative energies of large systems
- (2012) Wei Li et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Comparison of explicitly correlated local coupled-cluster methods with various choices of virtual orbitals
- (2012) Christine Krause 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
- Local explicitly correlated second-order Møller–Plesset perturbation theory with pair natural orbitals
- (2011) David P. Tew et al. JOURNAL OF CHEMICAL PHYSICS
- Tensor factorizations of local second-order Møller–Plesset theory
- (2011) Jun Yang et al. JOURNAL OF CHEMICAL PHYSICS
- Local pair natural orbitals for excited states
- (2011) Benjamin Helmich 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
- A Locality Analysis of the Divide–Expand–Consolidate Coupled Cluster Amplitude Equations
- (2011) Kasper Kristensen et al. Journal of Chemical Theory and Computation
- Experimental and Theoretical Study of a Gold(I) Aminonitrene Complex in the Gas Phase
- (2010) Alexey Fedorov et al. CHEMPHYSCHEM
- Ionization energies of water from PNO-CI calculations
- (2010) Wilfried Meyer INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Linear scaling coupled cluster method with correlation energy based error control
- (2010) Marcin Ziółkowski et al. JOURNAL OF CHEMICAL PHYSICS
- Weak Molecular Interactions Studied with Parallel Implementations of the Local Pair Natural Orbital Coupled Pair and Coupled Cluster Methods
- (2010) Dimitrios G. Liakos et al. Journal of Chemical Theory and Computation
- 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
- 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
- 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
- Eliminating the domain error in local explicitly correlated second-order Møller–Plesset perturbation theory
- (2008) Hans-Joachim Werner 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
- Natural Linear-Scaled Coupled-Cluster Theory with Local Transferable Triple Excitations: Applications to Peptides
- (2008) Thomas F. Hughes et al. JOURNAL OF PHYSICAL CHEMISTRY A
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search