期刊
MOLECULAR PHYSICS
卷 111, 期 9-11, 页码 1100-1108出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2013.812254
关键词
coupled-cluster; bivariational; Lagrangian
资金
- Research Council of Norway through a Centre of Excellence Grant [179568/V30]
The coupled-cluster method is one of the most successful methods for ab initio electronic structure calculations. For computation of expectation values and properties, two equivalent but very different derivations exist: the Lagrangian formulation of Helgaker and JOrgensen [Adv. Quant. Chem. 19, 183 (1988)] and the bivariational formulation of Arponen [Ann. Phys. 151, 311 (1983)]. The latter is, apparently, less well known among quantum chemists, and we therefore discuss and contrast the two approaches. Some generalisations of coupled-cluster based on the bivariational principle are discussed, including the so-called extended coupled-cluster method.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据