Restoring the size consistency of multireference configuration interactions through class dressings: applications to ground and excited states.
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Summary
A revised version of a size-consistency correction to the multireference configuration interaction techniques previously proposed by Szalay et al., which can be extremely fruitful to difference-dedicated configuration interactions.
- Type
- article
- Published
- 2008-08-14
- Cited by
- 14
- References
- 45
- OpenAlex
- https://openalex.org/W18715056
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:25888847
Keywords
Special educational needs, Psychology, Special education
References
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- Size-consistent self-consistent truncated or selected configuration interaction
- High-order excitations in state-universal and state-specific multireference coupled cluster theories: model systems.
- Short-range correlations in nuclear wave functions
- The averaged coupled-pair functional (ACPF): A size-extensive modification of MR CI(SD)
- Coupling term derivation and general implementation of state-specific multireference coupled cluster theories.
- Multireference self‐consistent size‐consistent singles and doubles configuration interaction for ground and excited states
- Origin and evaluation of the four-spin operators in magnetic lattices
- PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane
- Approximately extensive modifications of the multireference configuration interaction method: A theoretical and practical analysis
- A multi-reference coupled-cluster method for molecular applications
- Third-order multireference perturbation theory: the n-electron valence state perturbation-theory approach.
- The description of N2 and F2 potential energy surfaces using multireference coupled cluster theory
- A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
- Efficiency of a controlled use of Davidson's correction for the calculation of excitation energies: vertical spectrum of trans-butadiene
- Size-consistent self-consistent configuration interaction from a complete active space
Cited by
- Ability of a coupled electron pair approximation to treat single bond breakings
- Direct selected multireference configuration interaction calculations for large systems using localized orbitals.
- Towards an accurate treatment of σ∗ ← σ transitions: Moving onto N6.-
- Heisenberg behavior of some carbon‐beryllium compounds: How well truncated‐CI approaches work
- A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: the singles+doubles models.
- Multi-scale multireference configuration interaction calculations for large systems using localized orbitals: partition in zones.
- Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians.
- A perspective on the CASPT2 method
- A regionally contracted multireference configuration interaction method: general theory and results of an incremental version.
- Evaluation of the performance of single root multireference coupled cluster method for ground and excited states, and its application to geometry optimization.
- Evaluation of magnetic terms in Cu4O4 cubane-like systems from selected configuration interaction calculations: a case study of polynuclear transition-metal systems.
- Progress and challenges in the calculation of electronic excited states.
- Multiconfiguration self-consistent field and multireference configuration interaction methods and applications.
- High-Multiplicity Natural Orbitals in Multireference Configuration Interaction for Excited States.
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