Related references
Note: Only part of the references are listed.Local correlation calculations using standard and renormalized coupled-cluster approaches
Wei Li et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Fully Automated Incremental Evaluation of MP2 and CCSD(T) Energies: Application to Water Clusters
Joachim Friedrich et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Improving upon CCSD(T):: ΛCCSD(T).: I. Potential energy surfaces
Andrew G. Taube et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations
Masato Kobayashi et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The limits of local correlation theory: Electronic delocalization and chemically smooth potential energy surfaces
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Linear scaling multireference singles and doubles configuration interaction
Tsz S. Chwee et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Parallel calculation of CCSD and CCSD(T) analytic first and second derivatives
Michael E. Harding et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Local approach to coupled cluster evaluation of polarizabilities for long conjugated molecules
Qingxu Li et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Extension of the renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian to open-shell systems: A benchmark study
Marta Wloch et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Breaking bonds with the left eigenstate completely renormalized coupled-cluster method
Yingbin Ge et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Ab initio energies of nonconducting crystals by systematic fragmentation
Heather M. Netzloff et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Transition strengths and first-order properties of excited states from local coupled cluster CC2 response theory with density fitting
Danylo Kats et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
A novel approach to parallel coupled cluster calculations: Combining distributed and shared memory techniques for modern cluster based systems
Ryan M. Olson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Parallel calculation of coupled cluster singles and doubles wave functions using array files
Tomasz Janowski et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Generalized energy-based fragmentation approach for computing the ground-state energies and properties of large molecules
Wei Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Computational investigation of the conrotatory and disrotatory isomerization channels of bicyclo[1.1.0]butane to buta-1,3-diene: A completely renormalized coupled-cluster study
Armagan Kinal et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Local CC2 electronic excitation energies for large molecules with density fitting
Danylo Kats et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
An efficient implementation of the cluster-in-molecule approach for local electron correlation calculations
Shuhua Li et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
A near linear-scaling smooth local coupled cluster algorithm for electronic structure
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Dynamically screened local correlation method using enveloping localized orbitals
Alexander A. Auer et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equations
Marta W. Loch et al.
MOLECULAR PHYSICS (2006)
Coupled-cluster theory in a projected atomic orbital basis
O Christiansen et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals
P Piecuch et al.
CHEMICAL PHYSICS LETTERS (2006)
Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods
P Piecuch et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)
Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian
P Piecuch et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Coupled-cluster theory based upon the fragment molecular-orbital method
DG Fedorov et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
A local correlation model that yields intrinsically smooth potential-energy surfaces
JE Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Synthesis of high-performance parallel programs for a class of Ab Initio quantum chemistry models
G Baumgartner et al.
PROCEEDINGS OF THE IEEE (2005)
Combined coupled-cluster and many-body perturbation theories
S Hirata et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Wave-function-based ab initio correlation treatment for the buckminsterfullerene C60
B Paulus
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2004)
A natural linear scaling coupled-cluster method
N Flocke et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Potential energy surface discontinuities in local correlation methods
NJ Russ et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states
P Piecuch et al.
THEORETICAL CHEMISTRY ACCOUNTS (2004)
Divide-and-conquer local correlation approach to the correlation energy of large molecules
W Li et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
The effect of local approximations in coupled-cluster wave functions on dipole moments and static dipole polarisabilities
T Korona et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Tensor contraction engine: Abstraction and automated parallel implementation of configuration-interaction, coupled-cluster, and many-body perturbation theories
S Hirata
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Local correlation in the virtual space in multireference singles and doubles configuration interaction
D Walter et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Local treatment of electron excitations in the EOM-CCSD method
T Korona et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Locally correlated equation-of-motion coupled cluster theory for the excited states of large molecules
TD Crawford et al.
CHEMICAL PHYSICS LETTERS (2002)
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)
Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches
P Piecuch et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2002)
Local weak-pairs pseudospectral multireference configuration interaction
D Walter et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Low-order scaling local electron correlation methods.: V.: Connected triples beyond (T):: Linear scaling local CCSDT-1b
M Schütz
JOURNAL OF CHEMICAL PHYSICS (2002)
Linear scaling local correlation approach for solving the coupled cluster equations of large systems
SH Li et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)
A new, fast, semi-direct implementation of linear scaling local coupled cluster theory
M Schutz
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
Multi-reference weak pairs local configuration interaction: efficient calculations of bond breaking
D Walter et al.
CHEMICAL PHYSICS LETTERS (2001)
Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis (vol 114, pg 3919, 2001)
S Hirata et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis
S Hirata et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Low-order scaling local electron correlation methods.: IV.: Linear scaling local coupled-cluster (LCCSD)
M Schütz et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Low-order scaling local electron correlation methods.: III.: Linear scaling local perturbative triples correction (T)
M Schütz
JOURNAL OF CHEMICAL PHYSICS (2000)
Parallelization of multi-reference coupled-cluster method
P Piecuch et al.
PARALLEL COMPUTING (2000)
A second-order correction to singles and doubles coupled-cluster methods based on a perturbative expansion of a similarity-transformed Hamiltonian
SR Gwaltney et al.
CHEMICAL PHYSICS LETTERS (2000)
An accurate local model for triple substitutions in fourth order Moller-Plesset theory and in perturbative corrections to singles and doubles coupled cluster methods
PE Maslen et al.
CHEMICAL PHYSICS LETTERS (2000)
Local perturbative triples correction (T) with linear cost scaling
M Schütz et al.
CHEMICAL PHYSICS LETTERS (2000)