A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
Explore this paper's citation graph
- Type
- article
- Published
- 1982-02-15
- Cited by
- 5,252
- References
- 11
- OpenAlex
- https://openalex.org/W2012458244
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:95597812
Keywords
Coupled cluster, Quartic function, Ansatz, Physics, Exponential function
References
- Short-range correlations in nuclear wave functions
- TWO-BODY FORCES AND NUCLEAR SATURATION. III. DETAILS OF THE STRUCTURE OF THE NUCLEUS
- The Rayleigh-Schrodinger perturbation and the linked-diagram theorem for a multi-configurational model space
- Comparison of high-order many-body perturbation theory and configuration interaction for H2O
- The potential energy curve for the X1Σg+ state of Mg2 calculated with many‐body perturbation theory
- High-Energy Reactions and the Evidence for Correlations in the Nuclear Ground-State Wave Function
- Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 Molecule
- On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods
- Derivation of the Brueckner many-body theory
- Many‐Electron Theory of Atoms and Molecules. II
- Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules
Cited by
- The 3d Rydberg (3A2) electronic state observed by Herzberg and Shoosmith for methylene
- Coupled-cluster singles and doubles for extended systems.
- Unifying mechanism for toxicity and addiction by abused drugs: electron transfer and reactive oxygen species.
- First principles determination of the bound levels of HeLi-.
- Laser spectroscopy of Si3C.
- Ionization potentials of small lithium clusters (Lin) and hydrogenated lithium clusters (LinH).
- Theoretical study of aluminum arsenide clusters: equilibrium geometries and electronic structures of Al(n)As(n) (n=1-4).
- Allylic hydrogen abstraction II. H-abstraction from 1,4 type polyalkenes as a model for free radical trapping by polyunsaturated fatty acids (PUFAs).
- Restoring the size consistency of multireference configuration interactions through class dressings: applications to ground and excited states.
- Are isomers of the vinyl cyanide ion missing links for interstellar pyrimidine formation?
- A chemical dynamics, kinetics, and theoretical study on the reaction of the cyano radical (CN; X(2)Sigma+) with phenylacetylene (C6H5CCH; X(1)A1).
- Distribution of r·p in atomic systems.
- Analytic calculation of second-order electric response properties with the normalized elimination of the small component (NESC) method.
- Development of Monte Carlo configuration interaction: natural orbitals and second-order perturbation theory.
- Low-lying electronic states of Ir(n) clusters with n = 2-8 predicted at the DFT, CASSCF, and CCSD(T) levels.
- Hyperfine interactions and electric dipole moments in the [16.0]1.5(v = 6), [16.0]3.5(v = 7), and X2Δ(5/2) states of iridium monosilicide, IrSi.
- The Reaction between Bromine and the Water Dimer and the Highly Exothermic Reverse Reaction
- Benchmark calculations on the nuclear quadrupole-coupling parameters for open-shell molecules using non-relativistic and scalar-relativistic coupled-cluster methods.
- Photodetachment of Isolated Bicarbonate Anion: Electron Binding Energy of HCO3(.).
- Theoretical study of the reactions of Criegee intermediates with ozone, alkylhydroperoxides, and carbon monoxide.
Related papers
- Explicitly correlated connected triple excitations in coupled-cluster theory.
- A modified ansatz for explicitly correlated coupled-cluster wave functions that is suitable for response theory.
- An alternative hierarchy of electron correlation beyond the electron pair approximation.
- Explicitly correlated coupled-cluster theory using cusp conditions. II. Treatment of connected triple excitations.
- Recent Advances in Explicitly Correlated Coupled-Cluster Response Theory for Excited States and Optical Properties
- Multireference coupled-cluster Ansatz
- Coupled cluster singles and doubles variational quantum eigensolver ansatz for electronic structure calculations
- Analysis of the multireference state-universal coupled-cluster Ansatz
- Use of a New Cluster Ansatz to Treat Strong Relaxation and Correlation Effects: A Direct Method for Energy Differences