Effective finite-range Gogny-type interaction for quantum-molecular-dynamics–like models

Yukio Hashimoto

James May Chiang Chen

D. Davesne, Jesús Navarro, Alessandro Pastore

We present the formalism of the linear response theory in symmetric nuclear matter for a finite-range central interaction interaction including zero-range spin-orbit and tensor components.

Alexey Vyacheslavovich Gorshkov

P. Massella, F. Barranco, Diego Lonardoni +3 more

We investigate some aspects of the connection between mean-field and ab-initio calculations for many-nucleon systems employing the Gogny effective interaction. In particular, we present variational Monte Carlo calculations of $^4$He and $^{16}$O, for which we extended the formalism of the linear method to the case of a density-dependent Hamiltonian. Monte Carlo calculations using an uncorrelated basis reduce to Hartree-Fock ones, but Galilean invariance can be preserved, contrary to the usual treatment. An analysis of the results obtained with the Gogny force when used in conjunction with correlated wave functions has also been performed. Calculations show the collapse of the deuteron, leading to a set of unphysical predictions for the structure of heavier nuclei. This behavior remarks the different role of the Gogny effective interaction as compared to bare interactions typically used in fully microscopic calculations.

Zhijie Fan, Gia-Wei Chern

We present a new quantum molecular dynamics (MD) method where the electronic structure and atomic forces are solved by a real-space dynamical mean-field theory (DMFT). Contrary to most quantum MD methods that are based on effective single-particle wave functions, the DMFT approach is able to describe correlation-induced Mott metal-insulator transitions and the associated incoherent electronic excitations in an atomic liquid. We apply the DMFT-MD method to study Mott transitions in an atomic liquid model which can be viewed as the liquid-state generalization of the Hubbard model. The half-filled Hubbard liquids also provide a minimum model for alkali fluid metals. Our simulations uncover two distinct types of Mott transition depending on the atomic bonding and short-range structures in the electronically delocalized phase. In the first scenario where atoms tend to form dimers, increasing the Hubbard repulsion gives rise to a transition from a molecular insulator to an atomic insulator with a small window of enhanced metallicity in the vicinity of the localization transition. On the other hand, for Hubbard liquids with atoms forming large conducting clusters, the localization of electrons leads to the fragmentation of clusters and is intimately related to the liquid-gas transition of atoms. Implications of our results for metal-insulator transitions in fluid alkali metals are discussed.