Related references
Note: Only part of the references are listed.Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large Systems
Zhigang Ni et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
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)
Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals
Honghui Shang et al.
FRONTIERS IN CHEMISTRY (2020)
Cluster-in-Molecule Local Correlation Approach for Periodic Systems
Yuqi Wang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Fully optimized implementation of the cluster-in-molecule local correlation approach for electron correlation calculations of large systems
Zhigang Ni et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2019)
PYSCF: the Python-based simulations of chemistry framework
Qiming Sun et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling
Tobias Schaefer et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
The Laplace transformed divide-expand-consolidate resolution of the identity second-order Moller-Plesset perturbation (DEC-LT-RIMP2) theory method
Thomas Kjaergaard
JOURNAL OF CHEMICAL PHYSICS (2017)
Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis
Tobias Schaefer et al.
JOURNAL OF CHEMICAL 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)
Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation
Henry F. Schurkus et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Improvements on the minimax algorithm for the Laplace transformation of orbital energy denominators
Benjamin Helmich-Paris et al.
JOURNAL OF COMPUTATIONAL PHYSICS (2016)
Libcint: An efficient general integral library for Gaussian basis functions
Qiming Sun
JOURNAL OF COMPUTATIONAL CHEMISTRY (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)
Low Scaling Algorithms for the Random Phase Approximation: Imaginary Time and Laplace Transformations
Merzuk Kaltak et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Cluster-in-molecule local correlation method for large systems
Li Wei et al.
SCIENCE CHINA-CHEMISTRY (2014)
Efficient distance-including integral screening in linear-scaling Moller-Plesset perturbation theory
Simon A. Maurer et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Linear-scaling symmetry-adapted perturbation theory with scaled dispersion
Simon A. Maurer et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Distance-dependent Schwarz-based integral estimates for two-electron integrals: Reliable tightness vs. rigorous upper bounds
Simon A. Maurer et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Tensor hypercontraction. II. Least-squares renormalization
Robert M. Parrish et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
The orbital-specific-virtual local coupled cluster singles and doubles method
Jun Yang et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Coupled Cluster and Moller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions
Jonas Bostrom et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
A refined cluster-in-molecule local correlation approach for predicting the relative energies of large systems
Wei Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
A general-order local coupled-cluster method based on the cluster-in-molecule approach
Zoltan Rolik et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Tensor factorizations of local second-order Moller-Plesset theory
Jun Yang et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions
Lars Goerigk et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Local CC2 response method for triplet states based on Laplace transform: Excitation energies and first-order properties
Katrin Freundorfer et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions - Assessment of Common and Reparameterized (meta-)GGA Density Functionals
Lars Goerigk et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Multilevel Extension of the Cluster-in-Molecule Local Correlation Methodology: Merging Coupled-Cluster and Moller-Plesset Perturbation Theories
Wei Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
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
Wei Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
A Linear-Scaling MP2 Method for Large Molecules by Rigorous Integral-Screening Criteria
Bernd Doser et al.
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2010)
Comment on Minimax approximation for the decomposition of energy denominators in Laplace-transformed Moller-Plesset perturbation theories [J. Chem. Phys. 129, 044112 (2008)]
Danylo Kats et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Cholesky-decomposed densities in Laplace-based second-order Moller-Plesset perturbation theory
Jan Zienau et al.
JOURNAL OF 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)
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)
Minimax approximation for the decomposition of energy denominators in Laplace-transformed Moller-Plesset perturbation theories
Akio Takatsuka et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Efficient linear-scaling calculation of response properties: Density matrix-based Laplace-transformed coupled-perturbed self-consistent field theory
Matthias Beer et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
An atomic orbital-based reformulation of energy gradients in second-order Moller-Plesset perturbation theory
Sabine Schweizer et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Periodic local MP2 method for the study of electronic correlation in crystals:: Theory and preliminary applications
Cesare Pisani et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory
Bernd Doser et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
On the use of the Laplace transform in local correlation methods
Danylo Kats et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Resolution of the identity atomic orbital Laplace transformed second order Moller-Plesset theory for nonconducting periodic systems
Artur F. Izmaylov et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
An efficient implementation of the cluster-in-molecule approach for local electron correlation calculations
Shuhua Li et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Multipole-based integral estimates for the rigorous description of distance dependence in two-electron integrals
DS Lambrecht et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Rigorous integral screening for electron correlation methods
DS Lambrecht et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Auxiliary basis expansions for large-scale electronic structure calculations
Y Jung et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Laplace-transformed diagonal Dyson correction to quasiparticle energies in periodic systems
R Pino et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Reduced scaling in electronic structure calculations using Cholesky decompositions
H Koch et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
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)
Atomic orbital Laplace-transformed second-order Moller-Plesset theory for periodic systems
PY Ayala et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Scaling reduction of the perturbative triples correction (T) to coupled cluster theory via Laplace transform formalism
P Constans et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Low-order scaling local correlation methods II:: Splitting the Coulomb operator in linear scaling local second-order Moller-Plesset perturbation theory
G Hetzer et al.
JOURNAL OF CHEMICAL PHYSICS (2000)