A general state-selective multireference coupled-cluster algorithm (Q60425663)

A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

21 January 2018

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Coupled-cluster method in Fock space. I. General formalism

21 January 2018

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Coupled-cluster method for multideterminantal reference states

21 January 2018

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

21 January 2018

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

21 January 2018

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

21 January 2018

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

21 January 2018

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Cluster expansion of the wavefunction. Symmetry‐adapted‐cluster expansion, its variational determination, and extension of open‐shell orbital theory

21 January 2018

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

21 January 2018

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

21 January 2018

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The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

21 January 2018

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The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt

21 January 2018

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Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results

21 January 2018

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

21 January 2018

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The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach

21 January 2018

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The state-selective coupled cluster method for quasi-degenerate electronic states

21 January 2018

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

21 January 2018

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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

21 January 2018

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

21 January 2018

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Computing coupled-cluster wave functions with arbitrary excitations

21 January 2018

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On the convergence of the coupled-cluster sequence: the H8 model

21 January 2018

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Higher excitations in coupled-cluster theory

21 January 2018

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Multi-reference averaged quadratic coupled-cluster method: a size-extensive modification of multi-reference CI

21 January 2018

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Approximately extensive modifications of the multireference configuration interaction method: A theoretical and practical analysis

21 January 2018

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Full configuration–interaction and state of the art correlation calculations on water in a valence double‐zeta basis with polarization functions

21 January 2018

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

21 January 2018

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Spin-restricted open-shell coupled-cluster theory

21 January 2018

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