Related papers: One-body reduced density-matrix functional theory …
We prove uniqueness problems for meromorphic inner functions on the upper half-plane. In these problems we consider spectral data depending partially or fully on the spectrum, derivative values at the spectrum, Clark measure or the spectrum…
A theory is developed for magnetically confined Fermi gas at low temperature based on the density functional theory. The theory is illustrated by numerical calculation of density distributions of Fermi atoms $^{40}$K with parameters…
We review the properties of reduced density matrices for free fermionic or bosonic many-particle systems in their ground state. Their basic feature is that they have a thermal form and thus lead to a quasi-thermodynamic problem with a…
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…
We investigate thermodynamic properties of quantum electrodynamics in 1+1 dimensions (QED$_{1+1}$) utilizing light front dynamics. Therefore we derive the partition function of the canonical ensemble in discrete light cone quantization, and…
We study the one-body reduced density matrix of a system of $N$ one-dimensional impenetrable anyons trapped by a harmonic potential. To this purpose we extend two methods developed to tackle related problems, namely the determinant approach…
An exchange correlation energy functional involving fractional power of the one-body reduced density matrix [Phys. Rev. B {\bf 78}, 201103 (2008)] is applied to finite systems and to the homogeneous electron gas. The performance of the…
Combining classical density functional theory (cDFT) with quantum mechanics (QM) methods offers a computationally efficient alternative to traditional QM/molecular mechanics (MM) approaches for modeling mixed quantum-classical systems at…
Many electronic structure methods rely on the minimization of the energy of the system with respect to the one-body reduced density matrix (1-RDM). To formulate a minimization algorithm, the 1-RDM is often expressed in terms of its…
When can we map a classical density profile to an external potential? In equilibrium, without time dependence, the one-body density is known to specify the external potential that is applied to the many-body system. This mapping from a…
A formulation of the density functional theory is constructed on the foundations of entropic inference. The theory is introduced as an application of maximum entropy for inhomogeneous fluids in thermal equilibrium. It is shown that entropic…
We investigate the quantum field aspects in flat spacetime for an uniformly accelerated observer moving in a thermal bath. In particular, we obtain an exact closed expression of the reduced density matrix for an uniformly accelerated…
An expansion method for perturbation of the zero temperature grand canonical density matrix is introduced. The method achieves quadratically convergent recursions that yield the response of the zero temperature density matrix upon variation…
We address the fundamental interplay between indistinguishability and interactions when discreteness effects are neglected in systems with strictly fixed number of particles. For this end we supplement cluster expansions (many-body…
Variational and diffusion quantum Monte Carlo (VMC and DMC) calculations of the properties of the zero-temperature fermionic gas at unitarity are reported. The ratio of the energy of the interacting to the non-interacting gas for a system…
Wigner functions are broadly used to probe non-classical effects in the macroscopic world. Here we develop an orbital-free functional framework to compute the 1-body Wigner quasi-probability for both fermionic and bosonic systems. Since the…
Understanding the thermodynamic properties of many-body quantum systems and their emergence from microscopic laws is a topic of great significance due to its profound fundamental implications and extensive practical applications. Recent…
The density operator for a quantum system in thermal equilibrium with its environment depends on Planck's constant, as well as the temperature. At high temperatures, the Weyl representation, that is, the thermal Wigner function, becomes…
Using the Runge-Gross theorem that establishes the foundation of Time-dependent Density Functional Theory (TDDFT) we prove that for a given electronic Hamiltonian, choice of initial state, and choice of fragmentation, there is a unique…
In the representation theory of real reductive Lie groups, many objects have finiteness properties. For example, the lengths of Verma modules and principal series representations are finite, and more precisely, they are bounded. In this…