Cholesky decomposition within local multireference singles and doubles configuration interaction

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Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency

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Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions

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Density fitting with auxiliary basis sets from Cholesky decompositions

Thomas Bondo Pedersen et al.

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Cholesky decomposition of the two-electron integral matrix in electronic structure calculations

I. Roeggen et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

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Linear scaling multireference singles and doubles configuration interaction

Tsz S. Chwee et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

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Unbiased auxiliary basis sets for accurate two-electron integral approximations

Francesco Aquilante et al.

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Coupling term derivation and general implementation of state-specific multireference coupled cluster theories

Francesco A. Evangelista et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

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Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals

Francesco Aquilante et al.

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Linear scaling density fitting

Alex Sodt et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

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Fast noniterative orbital localization for large molecules

Francesco Aquilante et al.

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An efficient implementation of the cluster-in-molecule approach for local electron correlation calculations

Shuhua Li et al.

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Multireference Brillouin-Wigner coupled clusters method with noniterative perturbative connected triples

O Demel et al.

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Multipole-based integral estimates for the rigorous description of distance dependence in two-electron integrals

DS Lambrecht et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

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Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates

JE Subotnik et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

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Multi-reference Brillouin-Wigner coupled-cluster method with a general model space

J Pittner et al.

MOLECULAR PHYSICS (2005)

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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)

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