An Introduction to Coupled Cluster Theory for Computational Chemists
By T. D. Crawford, H. Schaefer. 2007
592 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Catalysis, Condensed Matter Physics
View Paper: https://www.semanticscholar.org/paper/400002b3178507909149c9def28a983c6a98bb6b
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In Atomic and Molecular Physics, and Optics
- E. Hohenstein
- C. David Sherrill
- L. Burns
- Reinhold Schneider
- John F. Stanton
- J. Demmel
- Devin A. Matthews
- Edward F. Valeev
In Catalysis
In Condensed Matter Physics
Citations in the corpus
- On manifolds of tensors of fixed TT-rank (2012, background): “[8, 43], and this notation will also be introduced in this section.”
- State‐specific multireference coupled‐cluster theory (2013, methodology): “132 This mainly helps to capture a larger portion of the dynamical correlation for the separated systems and should be contrasted with the fact that a CAS(2,2) reference provides a valid zeroth-order description throughout the reaction path.”
- Psi4: an open‐source ab initio electronic structure program (2012, methodology): “…and doubles (CCSD) method, CCSD plus noniterative perturbative triples [CCSD(T)], and CC3 (energies only) in which triples are included iteratively, 3,4,23 all with both spin-restricted and spin-unrestricted HF references [as well as Brueckner references for CCSD and FIGURE 2 | Proflavine@DNA…”
- A massively parallel tensor contraction framework for coupled-cluster computations (2014, methodology): “3 Coupled-cluster Methods Coupled-cluster [54, 5, 11] is an iterative process, where in each iteration, the new set of amplitudes T′ is computed from the amplitudes from the previous iteration T and from the (fixed) Hamiltonian H = F + V.”