Related references
Note: Only part of the references are listed.Improved Grid Optimization and Fitting in Least Squares Tensor Hypercontraction
Devin A. Matthews
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Moller-Plesset Perturbation Theory
Joonho Lee et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Highly Efficient, Linear-Scaling Seminumerical Exact-Exchange Method for Graphic Processing Units
Henryk Laqua et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Efficient Reduced-Scaling Second-Order Moller-Plesset Perturbation Theory with Cholesky-Decomposed Densities and an Attenuated Coulomb Metric
Michael Glasbrenner et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
An efficient algorithm for Cholesky decomposition of electron repulsion integrals
Sarai D. Folkestad et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Low-Scaling Self-Consistent Minimization of a Density Matrix Based Random Phase Approximation Method in the Atomic Orbital Space
Daniel Graf et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Integral partition bounds for fast and effective screening of general one-, two-, and many-electron integrals
Travis H. Thompson et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Assessment of the overlap metric in the context of RI-MP2 and atomic batched tensor decomposed MP2
Gunnar Schmitz et al.
CHEMICAL PHYSICS LETTERS (2018)
Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction
Chenchen Song et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Atomic-batched tensor decomposed two-electron repulsion integrals
Gunnar Schmitz et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Tensor-structured coupled cluster theory
Roman Schutski et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units
Chenchen Song et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction
Chenchen Song et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Vanishing-Overhead Linear-Scaling Random Phase Approximation by Cholesky Decomposition and an Attenuated Coulomb-Metric
Arne Luenser et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Hybrid CPU/GPU Integral Engine for Strong-Scaling Ab Initio Methods
Joerg Kussmann et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Inner projection techniques for the low-cost handling of two-electron integrals in quantum chemistry
Francesco Aquilante et al.
MOLECULAR PHYSICS (2017)
Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity
Chenchen Song et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Efficient linear-scaling second-order Moller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model
Pablo Baudin et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Orbital spaces in the divide-expand-consolidate coupled cluster method
Patrick Ettenhuber et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Sparse maps-A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
Christoph Riplinger et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Sparse maps-A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals
Peter Pinski et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel Calculations
Joerg Kussmann et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Scalable Electron Correlation Methods I.: PNO-LMP2 with Linear Scaling in the Molecular Size and Near-Inverse-Linear Scaling in the Number of Processors
Hans-Joachim Werner et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Tensor Hypercontraction Second-Order Moller-Plesset Perturbation Theory: Grid Optimization and Reaction Energies
Sara I. L. Kokkila Schumacher et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Cholesky-decomposed density MP2 with density fitting: Accurate MP2 and double-hybrid DFT energies for large systems
Simon A. Maurer et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction
Robert M. Parrish et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Benchmarking Hydrogen and Carbon NMR Chemical Shifts at HF, DFT, and MP2 Levels
Denis Flaig et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Discrete variable representation in electronic structure theory: Quadrature grids for least-squares tensor hypercontraction
Robert M. Parrish et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Pre-selective screening for matrix elements in linear-scaling exact exchange calculations
Joerg Kussmann et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2
Edward G. Hohenstein et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: Theory and benchmarks
Evgeny Epifanovsky et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Accuracy of Quantum Chemical Methods for Large Noncovalent Complexes
Robert Sedlak et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Tensor Hypercontraction Equation-of-Motion Second-Order Approximate Coupled Cluster: Electronic Excitation Energies in O(N4) Time
Edward G. Hohenstein et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
The divide-expand-consolidate MP2 scheme goes massively parallel
Kasper Kristensen et al.
MOLECULAR PHYSICS (2013)
The divide-expand-consolidate family of coupled cluster methods: Numerical illustrations using second order Moller-Plesset perturbation theory
Ida-Marie Hoyvik et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Tensor hypercontraction. II. Least-squares renormalization
Robert M. Parrish et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Moller-Plesset perturbation theory
Edward G. Hohenstein et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Moller-Plesset perturbation theory: from small molecule methods to methods for thousands of atoms
Dieter Cremer
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Efficient, approximate and parallel Hartree-Fock and hybrid DFT calculations. A 'chain-of-spheres' algorithm for the Hartree-Fock exchange
Frank Neese et al.
CHEMICAL PHYSICS (2009)
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency
Francesco Aquilante et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Approximated electron repulsion integrals: Cholesky decomposition versus resolution of the identity methods
Florian Weigend et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Linear-scaling atomic orbital-based second-order Moller-Plesset perturbation theory by rigorous integral screening criteria
Bernd Doser et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method
Frank Neese et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions
Jonas Bostrom et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Cholesky decomposition of the two-electron integral matrix in electronic structure calculations
I. Roeggen et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Variational and robust density fitting of four-center two-electron integrals in local metrics
Simen Reine et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Double-hybrid density functional theory for excited electronic states of molecules
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Fast evaluation of scaled opposite spin second-order Moller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity
Yousung Jung et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability
Tobias Schwabe et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Resolution of identity density functional theory augmented with an empirical dispersion term (RI-DFT-D):: A promising tool for studying isolated small peptides
Jiri Cerny et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Calculation of smooth potential energy surfaces using local electron correlation methods
Ricardo A. Mata et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Fast noniterative orbital localization for large molecules
Francesco Aquilante et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Semiempirical hybrid density functional with perturbative second-order correlation
S Grimme
JOURNAL OF CHEMICAL PHYSICS (2006)
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
P Jurecka et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Potential energy surface discontinuities in local correlation methods
NJ Russ et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Scaled opposite-spin second order Moller-Plesset correlation energy: An economical electronic structure method
YS Jung et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Fast linear scaling second-order Moller-Plesset perturbation theory (MP2) using local and density fitting approximations
HJ Werner et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Low-order scaling local electron correlation methods.: IV.: Linear scaling local coupled-cluster (LCCSD)
M Schütz et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Closely approximating second-order Moller-Plesset perturbation theory with a local triatomics in molecules model
MS Lee et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Share Paper
