(Q56269377)

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A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F2

article by Karol Kowalski & Piotr Piecuch published August 2001 in Chemical Physics Letters

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A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F2 (English)

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Piotr Piecuch

2

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Karol Kowalski

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1

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Karol Kowalski

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publication date

August 2001

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published in

Chemical Physics Letters

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volume

344

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issue

1-2

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page(s)

165-175

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cites work

On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods

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State‐selective multireference coupled‐cluster theory employing the single‐reference formalism: Implementation and application to the H8 model system

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A fifth-order perturbation comparison of electron correlation theories

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Molecular quadrupole moment functions of HF and N2. I.Abinitiolinear‐response coupled‐cluster results

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Improved computational strategy for the state‐selective coupled‐cluster theory with semi‐internal triexcited clusters: Potential energy surface of the HF molecule

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Approximate account of connected quadruply excited clusters in single-reference coupled-cluster theory via cluster analysis of the projected unrestricted Hartree-Fock wave function

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Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+

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Size-consistent wave functions for nondynamical correlation energy: The valence active space optimized orbital coupled-cluster doubles model

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Second-order perturbation corrections to singles and doubles coupled-cluster methods: General theory and application to the valence optimized doubles model

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A state‐selective multireference coupled‐cluster theory employing the single‐reference formalism

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7 January 2021

Breaking bonds with the state‐selective multireference coupled‐cluster method employing the single‐reference formalism

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Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches

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Coupled-cluster methods with internal and semi-internal triply excited clusters: Vibrational spectrum of the HF molecule

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In Search of the Relationship between Multiple Solutions Characterizing Coupled-Cluster Theories

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The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches

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Renormalized CCSD(T) and CCSD(TQ) approaches: Dissociation of the N2 triple bond

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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Full CI calculations on BH, H2O, NH3, and HF

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10.1016/S0009-2614(01)00730-8

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223241231

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(Q56269377)

A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F2

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