首页> 外文OA文献 >Range-Separated Brueckner Coupled Cluster Doubles Theory
【2h】

Range-Separated Brueckner Coupled Cluster Doubles Theory

机译:距离分离的Brueckner耦合簇对偶理论

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

We introduce a range-separation approximation to coupled cluster doubles (CCD) theory that successfully overcomes limitations of regular CCD when applied to the uniform electron gas. We combine the short-range ladder channel with the long-range ring channel in the presence of a Bruckner renormalized one-body interaction and obtain ground-state energies with an accuracy of 0.001 a.u./electron across a wide range of density regimes. Our scheme is particularly useful in the low-density and strongly correlated regimes, where regular CCD has serious drawbacks. Moreover, we cure the infamous overcorrelation of approaches based on ring diagrams (i.e., the particle-hole random phase approximation). Our energies are further shown to have appropriate basis set and thermodynamic limit convergence, and overall this scheme promises energetic properties for realistic periodic and extended systems which existing methods do not possess.
机译:我们将距离分离近似引入耦合簇双(CCD)理论,该理论成功克服了将规则CCD应用于均匀电子气时的局限性。我们在存在布鲁克纳重新规范化的单体相互作用的情况下将短距离梯形通道与长距离环形通道结合在一起,并在广泛的密度范围内获得基态能量,其精确度为0.001 a.u./电子。我们的方案在常规CCD有严重缺陷的低密度和强相关方案中特别有用。此外,我们基于环形图(即粒子-孔随机相位近似)来解决臭名昭著的方法的过度相关性。我们的能量被进一步证明具有适当的基础集和热力学极限收敛性,总的来说,该方案为现有方法所不具备的现实周期和扩展系统提供了能量特性。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号