A size consistent unitary group approach Multi-reference linear coupled cluster theory

作者：Howard S. Baker, Michael A. Robb · 发表于：Molecular Physics · 年份：1983 · DOI：10.1080/00268978300102861 · 被引用次数：47 · 研究领域：Theoretical and Computational Physics、Spectroscopy and Quantum Chemical Studies、Material Dynamics and Properties

A formulation of multi-reference linear coupled cluster theory (MR-LCC) within the context of the Unitary Group Approach (UGA) is presented. This size consistent unitary group method has been organized in a manner which is well suited to vector computers. Some examples are presented which illustrate the applicability of the method to potential surface calculations.