Related papers: Density functional for pairing with particle numbe…
Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…
The Multi-Reference Energy Density Functional (MR-EDF) approach (also called configuration mixing or Generator Coordinate Method), that is commonly used to treat pairing in finite nuclei and project onto particle number, is re-analyzed. It…
We introduce a non-linear differential flow equation for density matrices that provides a monotonic decrease of the free energy and reaches a fixed point at the Gibbs thermal state. We use this equation to build a variational approach for…
Pairing plays a central role in nuclear systems. The simplest model for the pairing is the constant-pairing Hamiltonian. The aim of the present paper is to include the continuum single particle level density in the constant pairing…
The Particle Number Projected Generator Coordinate Method is formulated for the pairing Hamiltonian in a detailed way in the projection after variation and the variation after projection methods. The dependence of the wave functions on the…
The ground state pairing correlations in finite fermionic systems are described with a high degree of accuracy within a variational approach based on a combined coupled-cluster and particle-number-projected BCS ansatz. The flexibility of…
We evaluate correlation functions of the BCS model for finite number of particles. The integrability of the Hamiltonian relates it with the Gaudin algebra ${\cal G}[sl(2)]$. Therefore, a theorem that Sklyanin proved for the Gaudin model,…
In electron density functional theory formal properties of density functionals play an important role in constructing and testing approximate functionals. In this paper it is shown that a set of density functionals satisfy an equation that…
A self-consistent many-body approach is proposed to build a first-principles crystal field theory, where crystal field parameters are calculated ab initio. Many-body theory is used to write the energy of the interacting system as a function…
An independent pair ansatz is developed for the many body wavefunction of dilute Bose systems. The pair correlation is optimized by minimizing the expectation value of the full hamiltonian (rather than the truncated Bogoliubov one)…
I describe the foundation of a Density Functional Theory approach to include pairing correlations, which was applied to a variety of systems ranging from dilute fermions, to neutron stars and finite nuclei. Ground state properties as well…
A microscopic theory for nuclear pairing is proposed through the generalized density matrix formalism. The analytical equations are as simple as that of the BCS theory, and could be solved within a similar computer time. The current theory…
We propose a scheme to perform the variational principle directly on the coherent pair condensate (VDPC). The result is equivalent to that of the so-called variation after particle-number projection, but now the particle number is always…
We present a density functional scheme for calculating the pair density (PD) by means of the correlated wave function. This scheme is free from both of problems related to PD functional theory, i.e., (a) the need to constrain the…
We discuss the occupation number correlations in an ultracold system of interacting fermionic atoms. For a system with a special energy-level distribution, viz. two multiply-degenerate levels, explicit expressions for the correlation…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
We consider a harmonically trapped dilute $N$-boson system described by a low-energy Hamiltonian with pairwise interactions. We determine the condensate fraction, defined in terms of the largest occupation number, of the weakly-interacting…
The Hohenberg-Kohn theorem and the Kohn-Sham equations, which are at the basis of the Density Functional Theory, are reformulated in terms of a particular many-body density, which is translational invariant and therefore is relevant for…
We study many-body correlations in the ground states of a general quantum system of bosons or fermions by including an additional Jastrow function in our ecently proposed variational coupled-cluster method. Our approach combines the…
We present an accurate and efficient framework for real-space Hubbard-corrected density functional theory. In particular, we obtain expressions for the energy, atomic forces, and stress tensor suitable for real-space finite-difference…