Symbolic computation of the Hartree-Fock energy from a chiral EFT three-nucleon interaction at N$^2$LO

Details Symbolic computation of the Hartree-Fock energy from a chiral EFT three-nucleon interaction at N$^2$LO Symbolic computation of the Hartree-Fock energy from a chiral EFT three-nucleon interaction at N$^2$LO

2009-12-16

arxiv.org/abs/0912.3086v1

Comput.Phys.Commun.181:1167-1177,2010

Physics

Computational Physics

26 pages and a set of Mathematica notebooks and Python script

Scientific paper

10.1016/j.cpc.2010.02.020

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 N$^2$LO. The final output from the notebooks is a Skyrme-like energy density functional that provides a quasi-local approximation to the nonlocal 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.

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