标题
Speeding up local correlation methods
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 24, Pages 244101
出版商
AIP Publishing
发表日期
2014-12-23
DOI
10.1063/1.4903983
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
- Local CC2 response method based on the Laplace transform: Orbital-relaxed first-order properties for excited states
- (2013) Katrin Ledermüller et al. JOURNAL OF CHEMICAL PHYSICS
- Linear-scaling explicitly correlated treatment of solids: Periodic local MP2-F12 method
- (2013) Denis Usvyat JOURNAL OF CHEMICAL PHYSICS
- Sparse tensor framework for implementation of general local correlation methods
- (2013) Daniel Kats 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 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
- Application of Hermitian time-dependent coupled-cluster responseAnsätzeof second order to excitation energies and frequency-dependent dipole polarizabilities
- (2012) Gero Wälz et al. PHYSICAL REVIEW A
- Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers
- (2011) Marco Lorenz 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
- Tensor factorizations of local second-order Møller–Plesset theory
- (2011) Jun Yang et al. JOURNAL OF CHEMICAL PHYSICS
- Second-order variational coupled-cluster linear-response method: A Hermitian time-dependent theory
- (2011) Daniel Kats et al. PHYSICAL REVIEW A
- Molpro: a general-purpose quantum chemistry program package
- (2011) Hans-Joachim Werner et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Ionization energies of water from PNO-CI calculations
- (2010) Wilfried Meyer INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Local CC2 response method for triplet states based on Laplace transform: Excitation energies and first-order properties
- (2010) Katrin Freundorfer et al. JOURNAL OF CHEMICAL PHYSICS
- GW quasiparticle spectra from occupied states only
- (2010) P. Umari et al. PHYSICAL REVIEW B
- Local Time-Dependent Coupled Cluster Response for Properties of Excited States in Large Molecules
- (2010) Danylo Kats et al. ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
- A multistate local coupled cluster CC2 response method based on the Laplace transform
- (2009) Danylo Kats et al. JOURNAL OF CHEMICAL PHYSICS
- Comment on “Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller–Plesset perturbation theories” [J. Chem. Phys. 129, 044112 (2008)]
- (2009) Danylo Kats 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
- On the use of the Laplace transform in local correlation methods
- (2008) Danylo Kats et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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