Coupled cluster

Coupled cluster

Jesse Russell Ronald Cohn

     

бумажная книга



ISBN: 978-5-5149-1976-5

High Quality Content by WIKIPEDIA articles! 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 quantum chemistry methods in the field of computational chemistry. It essentially takes the basic Hartree–Fock molecular orbital method and constructs multi-electron wavefunctions using the exponential cluster operator to account for electron correlation. Some of the most accurate calculations for small to medium sized molecules use this method.