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Symbolic computation of the Hartree–Fock energy from a chiral EFT three-nucleon interaction at N2LO

机译:N2LO处手性EFT三核相互作用对Hartree-Fock能量的符号计算

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摘要

We present the first of a two-part Mathematica notebook collection that implements a symbolic approach for the application of the density matrix expansion (DME) to the Hartree–Fock (HF) energy from a chiral effective field theory (EFT) three-nucleon interaction at N2LO. The final output from the notebooks is a Skyrme-like energy density functional that provides a quasi-local approximation to the non-local HF energy. In this paper, we discuss the derivation of the HF energy and its simplification in terms of the scalar/vector–isoscalar/isovector parts of the one-body density matrix. Furthermore, a set of steps is described and illustrated on how to extend the approach to other three-nucleon interactions.
机译:我们介绍了两部分的Mathematica笔记本系列中的第一个,该系列采用从手性有效场理论(EFT)三核子相互作用中将密度矩阵展开(DME)应用于Hartree-Fock(HF)能量的方法在N2LO。笔记本电脑的最终输出是类似于Skyrme的能量密度函数,它提供了非局部HF能量的准局部近似值。在本文中,我们将根据单体密度矩阵的标量/矢量-等标量/等矢量部分来讨论HF能量的推导及其简化。此外,还描述并说明了一组步骤,说明如何将该方法扩展到其他三核子相互作用。

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