Related references
Note: Only part of the references are listed.Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: The Hitchhiker's guide to Fock space
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Beyond vinyl:: Electronic structure of unsaturated propen-1-yl, propen-2-yl, 1-buten-2-yl, and trans-2-buten-2-yl hydrocarbon
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Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals
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Spin-flip equation-of-motion coupled-cluster electronic structure method for a description of excited states, bond breaking, diradicals, and triradicals
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Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian
P Piecuch et al.
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Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations
LV Slipchenko et al.
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Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations
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Coupled-cluster method tailored by configuration interaction
T Kinoshita et al.
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Analytic gradients for the spin-conserving and spin-flipping equation-of-motion coupled-cluster models with single and double substitutions
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Bonding patterns in benzene triradicals from structural, spectroscopic, and thermochemical perspectives
AMC Cristian et al.
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Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states
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THEORETICAL CHEMISTRY ACCOUNTS (2004)
Higher-order equation-of-motion coupled-cluster methods
S Hirata
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Calculation of excited-state properties using general coupled-cluster and configuration-interaction models
M Kállay et al.
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Vibrational spectrum and thermochemistry of the formyl (HCO) radical: A variational study by the coupled cluster CCSD(T) method with complete basis set extrapolation
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Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene
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Equation-of-motion coupled cluster method with full inclusion of connected triple excitations for electron-attached states: EA-EOM-CCSDT
M Musial et al.
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A spin-complete version of the spin-flip approach to bond breaking: What is the impact of obtaining spin eigenfunctions?
JS Sears et al.
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Coupled cluster CCSD(T) calculations of equilibrium geometries, anharmonic force fields, and thermodynamic properties of the formyl (HCO) and isoformyl (COH) radical species
AV Marenich et al.
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Equation-of-motion coupled cluster method with full inclusion of the connected triple excitations for ionized states: IP-EOM-CCSDT
M Musial et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Extension of the method of moments of coupled-cluster equations to excited states: The triples and quadruples corrections to the equation-of-motion coupled-cluster singles and doubles energies
K Kowalski et al.
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Perturbative corrections to the equation-of-motion spin-flip self-consistent field model: Application to bond-breaking and equilibrium properties of diradicals
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Coupled-cluster theory for excited electronic states: The full equation-of-motion coupled-cluster single, double, and triple excitation method
SA Kucharski et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
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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Triplet excitation energies in full configuration interaction and coupled-cluster theory
H Larsen et al.
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The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt
K Kowalski et al.
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Size-consistent wave functions for bond-breaking: the equation-of-motion spin-flip model
AI Krylov
CHEMICAL PHYSICS LETTERS (2001)
High level ab initio studies on the excited states of HOCO radical
YM Li et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
High-order determinantal equation-of-motion coupled-cluster calculations for electronic excited states
S Hirata et al.
CHEMICAL PHYSICS LETTERS (2000)
Computing coupled-cluster wave functions with arbitrary excitations
M Kállay et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches
K Kowalski et al.
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Ab initio characterization of the HCOx (x = -1, 0, +1) species:: Structures, vibrational frequencies, CH bond dissociation energies, and HCO ionization potential and electron affinity
T van Mourik et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Second-order perturbation corrections to singles and doubles coupled-cluster methods: General theory and application to the valence optimized doubles model
SR Gwaltney et al.
JOURNAL OF CHEMICAL PHYSICS (2000)