The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches
about
Coupled-cluster theory in quantum chemistryA simplified ab initio treatment of diradicaloid structures produced from stretching and breaking chemical bonds.Analytic gradients for the state-specific multireference coupled cluster singles and doubles model.Different equation-of-motion coupled cluster methods with different reference functions: the formyl radical.A tractable and accurate electronic structure method for static correlations: the perfect hextuples model.Force field of para- and metabenzyne diradicals: a multireference coupled-cluster study.Improved version of a local contracted configuration interaction of singles and doubles with partial inclusion of triples and quadruples.Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods.Efficient implementation of restricted active space configuration interaction with the hole and particle approximation.A fusion of the closed-shell coupled cluster singles and doubles method and valence-bond theory for bond breaking.Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory.Correction to constrained coupled cluster doubles models based on the second coupled cluster central moment.Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation.Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model.Communication: The distinguishable cluster approximation.Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the implementation for low-lying excited states.A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: the singles+doubles models.Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods.A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions.Negative ion photoelectron spectra of ISO3-, IS2O3-, and IS2O4- intermediates formed in interfacial reactions of ozone and iodide/sulfite aqueous microdroplets.The perfect quadruples model for electron correlation in a valence active space.Improving upon CCSD(T): LambdaCCSD(T). I. Potential energy surfaces.Approximate treatment of higher excitations in coupled-cluster theory.Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performance.A coupled cluster theory with iterative inclusion of triple excitations and associated equation of motion formulation for excitation energy and ionization potential.Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations.Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the formula for general active spaces and its applications for multibond breaking systems.Computerized implementation of higher-order electron-correlation methods and their linear-scaling divide-and-conquer extensions.Correlation effects beyond coupled cluster singles and doubles approximation through Fock matrix dressing.The distinguishable cluster approach from a screened Coulomb formalism.Symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method: improving upon CCSD(T) and CCSD(T)(Λ): preliminary application.Perturbative treatment of triple excitations in internally contracted multireference coupled cluster theory.Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions.Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians.Speeding up local correlation methods: System-inherent domains.The externally corrected coupled cluster approach with four- and five-body clusters from the CASSCF wave function.A driven similarity renormalization group approach to quantum many-body problems.Convergence of coupled cluster perturbation theory.Active-space coupled-cluster study of electronic states of Be3.
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P2860
The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches
description
im Juli 2000 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в липні 2000
@uk
name
The method of moments of coupl ...... D(TQ), and CCSDT(Q) approaches
@en
The method of moments of coupl ...... D(TQ), and CCSDT(Q) approaches
@nl
type
label
The method of moments of coupl ...... D(TQ), and CCSDT(Q) approaches
@en
The method of moments of coupl ...... D(TQ), and CCSDT(Q) approaches
@nl
prefLabel
The method of moments of coupl ...... D(TQ), and CCSDT(Q) approaches
@en
The method of moments of coupl ...... D(TQ), and CCSDT(Q) approaches
@nl
P356
P1476
The method of moments of coupl ...... D(TQ), and CCSDT(Q) approaches
@en
P2093
Karol Kowalski
P356
10.1063/1.481769
P407
P577
2000-07-01T00:00:00Z