4.7 Article

Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations

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。
Article Chemistry, Physical

The limits of local correlation theory: Electronic delocalization and chemically smooth potential energy surfaces

Joseph E. Subotnik et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Multidisciplinary

Implementation of divide-and-conquer method including Hartree-Fock exchange interaction

Tomoko Akama et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)

Article Chemistry, Physical

Parallel calculation of coupled cluster singles and doubles wave functions using array files

Tomasz Janowski et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)

Article Computer Science, Interdisciplinary Applications

Coupled cluster algorithms for networks of shared memory parallel processors

Jonathan L. Bentz et al.

COMPUTER PHYSICS COMMUNICATIONS (2007)

Article Chemistry, Physical

Second-order Moller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix

Masato Kobayashi et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

A near linear-scaling smooth local coupled cluster algorithm for electronic structure

Joseph E. Subotnik et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Coupled-cluster theory in a projected atomic orbital basis

O Christiansen et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Coupled-cluster theory based upon the fragment molecular-orbital method

DG Fedorov et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

The MP2 energy as a functional of the Hartree-Fock density matrix

PR Surján

CHEMICAL PHYSICS LETTERS (2005)

Article Chemistry, Physical

Coupled-cluster singles and doubles for extended systems

S Hirata et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

A natural linear scaling coupled-cluster method

N Flocke et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Linear scaling local coupled cluster theory with density fitting. Part I: 4-external integrals

M Schutz et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2003)

Article Computer Science, Interdisciplinary Applications

Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches

P Piecuch et al.

COMPUTER PHYSICS COMMUNICATIONS (2002)

Article Chemistry, Physical

Energy density analysis with Kohn-Sham orbitals

H Nakai

CHEMICAL PHYSICS LETTERS (2002)

Article Chemistry, Multidisciplinary

Linear scaling local correlation approach for solving the coupled cluster equations of large systems

SH Li et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)

Article Chemistry, Physical

A new, fast, semi-direct implementation of linear scaling local coupled cluster theory

M Schutz

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)