화학공학소재연구정보센터
Chemical Physics Letters, Vol.700, 64-73, 2018
Configurational coupled cluster approach with applications to magnetic model systems
A general exponential, coupled cluster like, approach is discussed to extract an effective Hamiltonian in configurational space, as a sum of 1-body, 2-body up to n-body operators. The simplest two-body approach is illustrated by calculations on simple magnetic model systems. A key feature of the approach is that equations up to a certain rank do not depend on higher body cluster operators. (C) 2018 Elsevier B.V. All rights reserved.