• Coupled cluster (CC) is a numerical technique used for describing many-body systems. Its most common use is as one of several post-Hartree–Fock ab initio...
    28 KB (4,353 words) - 18:46, 19 July 2024
  • State-universal coupled cluster (SUCC) method is one of several multi-reference coupled-cluster (MR) generalizations of single-reference coupled cluster method...
    1 KB (149 words) - 01:32, 1 October 2024
  • Thumbnail for Computer cluster
    coupled clustering product was Datapoint Corporation's "Attached Resource Computer" (ARC) system, developed in 1977, and using ARCnet as the cluster interface...
    34 KB (3,745 words) - 09:28, 4 September 2024
  • Thumbnail for Debashis Mukherjee
    strongly coupled correlated systems have shown promise of the method. A useful spin-off of the method is the combined use of time-dependent coupled cluster method...
    13 KB (1,600 words) - 17:15, 21 May 2024
  • Thumbnail for ORCA (quantum chemistry program)
    semi-empirical, density functional theory, many-body perturbation, coupled cluster, and multireference methods. ORCA provides an easy-to-learn input structure...
    5 KB (497 words) - 08:15, 31 July 2024
  • scales as N6. To fourth order (MP4) MP scales as N7. Another method, coupled cluster with singles and doubles (CCSD), scales as N6 and extensions, CCSD(T)...
    21 KB (2,524 words) - 01:36, 1 October 2024
  • A Cluster diagram or clustering diagram is a general type of diagram, which represents some kind of cluster. A cluster in general is a group or bunch of...
    6 KB (596 words) - 06:18, 11 August 2024
  • theory, Hartree–Fock calculations, quantum Monte Carlo methods, and coupled cluster methods. Understanding electronic structure and molecular dynamics...
    20 KB (2,232 words) - 10:20, 18 October 2024
  • important distinctions to be made between them. Hartree–Fock (HF), coupled cluster, many-body perturbation theory (to any order), and full configuration...
    4 KB (503 words) - 21:12, 10 September 2024
  • in a metal. Chemistry portal Cis effect Configuration interaction Coupled cluster Frontier molecular orbital theory Ligand field theory (MO theory for...
    22 KB (2,959 words) - 13:06, 18 October 2024
  • Council, former name of GS1 US Unique Country Code Unitary Coupled Cluster, a kind of coupled cluster in computational chemistry Unlock CPU Core, a technology...
    5 KB (653 words) - 10:59, 14 December 2023
  • multi-reference coupled cluster theory, as well as extended coupled-cluster functions. He has developed a non-iterative approximation to coupled-perturbed Kohn-Sham...
    12 KB (1,181 words) - 22:34, 15 September 2024
  • should be in the bond region. Valence bond theory views bonds as weakly coupled orbitals (small overlap). Valence bond theory is typically easier to employ...
    12 KB (1,519 words) - 13:06, 18 October 2024
  • introduced the basis for the coupled-cluster approach that mainly operates with many-body wavefunctions. The coupled-clusters approach is one of the most...
    15 KB (2,118 words) - 23:47, 28 December 2023
  • Method of undetermined coefficients Bayesian inference Bethe ansatz Coupled cluster, a technique for solving the many-body problem that is based on an...
    6 KB (645 words) - 11:46, 5 September 2024
  • price of added computational cost. Configuration interaction (CI) Coupled cluster (CC) Multi-configuration time-dependent Hartree (MCTDH,) Møller–Plesset...
    9 KB (947 words) - 14:19, 13 August 2023
  • Beowulf cluster is an example of a loosely coupled system. Tightly coupled systems perform better and are physically smaller than loosely coupled systems...
    13 KB (1,529 words) - 05:16, 19 June 2024
  • (TDDFT), Møller–Plesset perturbation theory (MP2), coupled cluster (CC), equation-of-motion coupled-cluster (EOM-CC), configuration interaction (CI), algebraic...
    25 KB (2,642 words) - 17:23, 6 January 2024
  • conjugate, an operation on complex numbers, commonly abbreviated as c. c. Coupled cluster, a numerical technique in computational chemistry Cubic centimetre...
    7 KB (790 words) - 06:52, 6 August 2024
  • Succ, SUCC, or S.U.C.C. may refer to: sucC RNA motif State-universal coupled cluster Sydney University Cricket Club A slang term for fellatio, derived from...
    322 bytes (66 words) - 04:20, 29 May 2021
  • correlation energy partitioning has also been shown to be possible with coupled cluster methods. multi-configurational self-consistent field (MCSCF) There...
    12 KB (1,541 words) - 09:50, 28 February 2024
  • interaction, finite-order Møller–Plesset perturbation theory, and coupled cluster theory.[citation needed] Although fewer N-electron functions are required...
    5 KB (513 words) - 15:01, 14 September 2022
  • Thumbnail for Piotr Piecuch
    for molecular systems and atomic nuclei, including methods based on coupled cluster theory, mathematical methods of chemistry and physics, and theory of...
    26 KB (2,339 words) - 18:02, 28 July 2024
  • qualitatively wrong and so are the CI wave functions and energies. Coupled cluster Electron correlation Multireference configuration interaction (MRCI)...
    6 KB (841 words) - 15:26, 5 August 2019
  • Thumbnail for Excited state
    to relax to equilibrium. Excited states are often calculated using coupled cluster, Møller–Plesset perturbation theory, multi-configurational self-consistent...
    8 KB (938 words) - 22:35, 1 April 2024
  • various molecular properties using the Hartree–Fock, MP2, MCSCF and coupled cluster theories. Version 2.0 of DALTON added support for density functional...
    4 KB (129 words) - 22:09, 17 July 2023
  • traditional wavefunction-based methods like configuration interaction or coupled cluster theory). In the current DFT approach it is not possible to estimate...
    79 KB (10,571 words) - 09:43, 13 October 2024
  • Thumbnail for Pleiades
    known as the Seven Sisters and Messier 45, is an asterism of an open star cluster containing young B-type stars in the northwest of the constellation Taurus...
    48 KB (5,302 words) - 13:06, 8 October 2024
  • Thumbnail for G protein-coupled receptor
    protein-coupled receptors are involved in many diseases. There are two principal signal transduction pathways involving the G protein-coupled receptors:...
    82 KB (9,384 words) - 16:34, 5 September 2024
  • method Density functional theory Møller–Plesset perturbation theory Coupled cluster CASSCF multireference configuration interaction methods symmetry-adapted...
    9 KB (753 words) - 11:50, 15 October 2023