Extension of coupled-cluster theory with a noniterative treatment of connected triply excited clusters to three-body Hamiltonians

被引:59
|
作者
Binder, Sven [1 ]
Piecuch, Piotr [2 ]
Calci, Angelo [1 ]
Langhammer, Joachim [1 ]
Navratil, Petr [3 ]
Roth, Robert [1 ]
机构
[1] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany
[2] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA
[3] TRIUMF, Vancouver, BC V6T 2A3, Canada
来源
PHYSICAL REVIEW C | 2013年 / 88卷 / 05期
基金
加拿大自然科学与工程研究理事会;
关键词
OPEN-SHELL SYSTEMS; FULL CCSDT MODEL; CLOSED-SHELL; CONFIGURATION-INTERACTION; ELECTRON CORRELATION; MOLECULAR-SYSTEMS; SINGLE-REFERENCE; LEFT-EIGENSTATE; DOUBLES MODEL; EQUATIONS;
D O I
10.1103/PhysRevC.88.054319
中图分类号
O57 [原子核物理学、高能物理学];
学科分类号
070202 ;
摘要
We generalize the coupled-cluster (CC) approach with singles, doubles, and the noniterative treatment of triples termed Lambda CCSD(T) to Hamiltonians containing three-body interactions. The resulting method and the underlying CC approach with singles and doubles only (CCSD) are applied to the medium-mass closed-shell nuclei O-16, O-24, and Ca-40. By comparing the results of CCSD and Lambda CCSD(T) calculations with explicit treatment of three-nucleon interactions to those obtained using an approximate treatment in which they are included effectively via the zero-, one-, and two-body components of the Hamiltonian in normal-ordered form, we quantify the contributions of the residual three-body interactions neglected in the approximate treatment. We find these residual normal-ordered three-body contributions negligible for the Lambda CCSD(T) method, although they can become significant in the lower-level CCSD approach, particularly when the nucleon-nucleon interactions are soft.
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页数:21
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