Recent Advances in Explicitly Correlated Coupled-Cluster Response Theory for Excited States and Optical Properties
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- Type
- article
- Published
- 2010-04-01
- Cited by
- 6
- References
- 12
- OpenAlex
- https://openalex.org/W1999396724
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:120329894
Keywords
Ansatz, Geminal, Coupled cluster, Excited state, Wave function
References
- Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
- Frequency-dependent nonlinear optical properties with explicitly correlated coupled-cluster response theory using the CCSD(R12) model.
- Local treatment of electron excitations in the EOM-CCSD method
- Structures and harmonic vibrational frequencies for excited states of diatomic molecules with CCSD(R12) and CCSD(F12) models.
- Extensions of r12 corrections to CC2-R12 for excited states.
- Coupled-cluster response theory with linear-r12 corrections: the CC2-R12 model for excitation energies.
- R12 methods in explicitly correlated molecular electronic structure theory
- Basis-set convergence of correlated calculations on water
- Coupled-cluster theory with simplified linear-r(12) corrections: the CCSD(R12) model.
- Locally correlated equation-of-motion coupled cluster theory for the excited states of large molecules
- A diagonal orbital-invariant explicitly-correlated coupled-cluster method
Cited by
- Communication: convergence of anharmonic infrared intensities of hydrogen fluoride in traditional and explicitly correlated coupled cluster calculations.
- Explicitly correlated electrons in molecules.
- Recent advances in wave function-based methods of molecular-property calculations.
- Explicitly correlated R12/F12 methods for electronic structure.
- Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory.
- Analytical energy gradients for explicitly correlated wave functions. II. Explicitly correlated coupled cluster singles and doubles with perturbative triples corrections: CCSD(T)-F12.
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