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.

引用

页数：21