Energy vs. density on paths toward more exact density functionals

Neutron drops and Skyrme energy-density functionals.

The J =0 ground state of a drop of 8 neutrons and the lowest 1/2 and 3/2 states of 7-neutron drops, all in an external well, are computed accurately with variational and Green's function Monte Carlo methods for a Hamiltonian containing the Argonne v18 two-nucleon and Urbana IX three-nucleon potentials. These states are also calculated using Skyrme-type energy-density functionals. Commonly used ...

Configuration interactions constrained by energy density functionals

Nuclear Energy Density Functionals Constrained by Low-Energy QCD

A microscopic framework of nuclear energy density functionals is reviewed, which establishes a direct relation between low-energy QCD and nuclear structure, synthesizing effective field theory methods and principles of density functional theory. Guided by two closely related features of QCD in the lowenergy limit: a) in-medium changes of vacuum condensates, and b) spontaneous breaking of chiral...

Comment on “Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation”

We suggest a more nuanced view of the merit and utility of generalized gradient approximations (GGAs) for the noninteracting kinetic energy (KE) than the critique of Xia and Carter (XC) [Phys. Rev. B 91, 045124 (2015)]. Specifically, the multiple valuedness of the Pauli term enhancement factor (denoted G[n] by XC) with respect to the inhomogeneity variable s can be excluded by enforcement of a ...

Introduction to Density Functional Theory and Exchange-Correlation Energy Functionals

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