Chemical Physics Letters 2018-04-08

Configurational Coupled Cluster Approach with Applications to Magnetic Model Systems

Siyuan Wu, Marcel Nooijen

Index: 10.1016/j.cplett.2018.04.017

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Abstract

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.