Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties
نویسندگان
چکیده
منابع مشابه
8 Cluster Perturbation Theory
Cluster Perturbation Theory (CPT) is a simple approximation scheme that applies to lattice models with local interactions, like the Hubbard model, or models where the local interaction is predominant. It proceeds by tiling the lattice into identical, finite-size clusters, solving these clusters exactly and treating the inter-cluster hopping terms at first order in strong-coupling perturbation t...
متن کاملMany-polaron problem by cluster perturbation theory
The carrier-density dependence of the photoemission spectrum of the Holstein many-polaron model is studied using cluster perturbation theory combined with an improved cluster diagonalization by Chebychev expansion.
متن کاملDeceptive Convergence in Moller-plesset Perturbation Energies
Msller-Plesset perturbation calculations (MPn) up to fiftieth order, within both the restricted (RHF) and unrestricted Hartree-Fock (UHF) frameworks, have been used to examine the He:+ ground-state potential curve. The bond lengths of the equilibrium and transition structures have been optimized at all orders of perturbation theory. It is found that RMPn describes the homolytic dissociation bet...
متن کاملvia a Cluster - Perturbation Approach ∗
Angular-resolved photoemission data on half-filled doped cuprate materials are compared with an exact-diagonalization analysis of the three-band Hubbard model, which is extended to the infinite lattice by means of a perturbation in the intercluster hopping (cluster perturbation theory). A study of the band dispersion and spectral weight of the insulating cuprate Sr2CuO2Cl2 allows us to fix a co...
متن کاملRelative Perturbation Theory : IV
The double angle theorems of Davis and Kahan bound the change in an invariant subspace when a Hermitian matrix A is subject to an additive perturbation A ! e A = A+A. This paper supplies analogous results when A is subject to a congruential, or multiplicative, perturbation A ! e A = D AD. The relative gaps that appear in the bounds involve the spectrum of only one matrix, either A or e A, in co...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2019
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5053622