Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results (Q62046400)

scientific article published in October 2001

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English	Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results	scientific article published in October 2001

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title

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

October 2001

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published in

Chemical Physics Letters

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volume

347

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issue

1-3

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page(s)

237-246

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cites work

Coupled cluster response functions

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7 January 2021

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

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Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models

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Response functions in the CC3 iterative triple excitation model

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7 January 2021

Perturbative triple excitation corrections to coupled cluster singles and doubles excitation energies

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Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory

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New type of noniterative energy corrections for excited electronic states: Extension of the method of moments of coupled-cluster equations to the equation-of-motion coupled-cluster formalism

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

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7 January 2021

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

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

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

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

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

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General atomic and molecular electronic structure system

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Excited states theory for optimized orbitals and valence optimized orbitals coupled-cluster doubles models

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7 January 2021

Excitation energies, transition moments and dynamic polarizabilities for CH+. A comparison of multiconfigurational linear response and full configuration interaction calculations

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7 January 2021

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10.1016/S0009-2614(01)01010-7

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Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results (Q62046400)

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Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results (Q62046400)

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