Parallelization of multi-reference coupled-cluster method (Q62046424)

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7 January 2021

Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 Molecule

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7 January 2021

Coupled-cluster method for multideterminantal reference states

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7 January 2021

On the connectivity criteria in the open-shell coupled-cluster theory for general model spaces

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7 January 2021

Orthogonally spin‐adapted state‐universal coupled‐cluster formalism: Implementation of the complete two‐reference theory including cubic and quartic coupling terms

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7 January 2021

A Critical Assessment of Coupled Cluster Method in Quantum Chemistry

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7 January 2021

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

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7 January 2021

Orthogonally spin-adapted multi-reference Hilbert space coupled-cluster formalism: diagrammatic formulation

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7 January 2021

Application of Hilbert-space coupled-cluster theory to simple (H2)2model systems: Planar models

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7 January 2021

Application of Hilbert-space coupled-cluster theory to simple (H2)2model systems. II. Nonplanar models

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7 January 2021

Property Evaluation Using the Two-Reference State-Universal Coupled-Cluster Method

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7 January 2021

Complete set of solutions of multireference coupled-cluster equations: The state-universal formalism

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7 January 2021

Hilbert space multireference coupled‐cluster methods. II. A model study on H8

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7 January 2021

Analytic energy gradients for the two‐determinant coupled cluster method with application to singlet excited states of butadiene and ozone

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

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7 January 2021

General atomic and molecular electronic structure system

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7 January 2021

A fifth-order perturbation comparison of electron correlation theories

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7 January 2021

Coupled cluster approaches with an approximate account of triexcitations and the optimized inner projection technique

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7 January 2021

Coupled-Cluster approaches with an approximate account of triply and quadruply excited clusters: Implementation of the orthogonally spin-adaptedCCD +ST(CCD),CCSD +T(CCSD), andACPQ +ST(ACPQ) formalisms

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7 January 2021

Quantum chemistry on parallel computer architectures: coupled-cluster theory applied to the bending potential of fulminic acid

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7 January 2021

Orthogonally spin-adapted coupled-cluster equations involving singly and doubly excited clusters. Comparison of different procedures for spin-adaptation

1 reference

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7 January 2021

Coupled-cluster approaches with an approximate account of triexcitations and the optimized-inner-projection technique. II. Coupled-cluster results for cyclic-polyene model systems

1 reference

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7 January 2021

Coupled-cluster approaches with an approximate account of triexcitations and the optimized-inner-projection technique. III. Lower bounds to the ground-state correlation energy of cyclic-polyene model systems

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7 January 2021

Method of moments approach and coupled cluster theory

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7 January 2021

On the solution of coupled-cluster equations in the fully correlated limit of cyclic polyene model

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7 January 2021

Electron correlation in one dimension: Coupled cluster approaches to cyclic polyene ?-electron models

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7 January 2021

Behavior of coupled cluster energy in the strongly correlated limit of the cyclic polyene model. Comparison with the exact results

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

State‐selective multireference coupled‐cluster theory: In pursuit of property calculation

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7 January 2021

Solving the single‐reference coupled‐cluster equations involving highly excited clusters in quasidegenerate situations

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7 January 2021

Orthogonally spin‐adapted single‐reference coupled‐cluster formalism: Linear response calculation of static properties

1 reference

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7 January 2021

Orthogonally spin‐adapted single‐reference coupled‐cluster formalism: Linear response calculation of higher‐order static properties

1 reference

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7 January 2021

10.1016/S0167-8191(00)00019-3

Identifiers

DOI

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DBLP publication ID

journals/pc/PiecuchL00

1 reference

DBLP Dataset 2021-01-02