Related papers: Geometrical Perspective on Spin-Lattice Density-Fu…
A Bose-Hubbard model on a dynamical lattice was introduced in previous work as a spin system analogue of emergent geometry and gravity. Graphs with regions of high connectivity in the lattice were identified as candidate analogues of…
We use spin-density functional theory to obtain novel expressions for the charge and spin local-field factors of an electron gas in terms of its electron-pair structure factors. These expressions (i) satisfy the compressibility and spin…
Density functional theory is used to study colloidal hard-rod fluids near an individual right-angled wedge or edge as well as near a hard wall which is periodically patterned with rectangular barriers. The Zwanzig model, in which the…
We propose a lattice density-functional theory for {\it ab initio} quantum chemistry or physics as a route to an efficient approach that approximates the full configuration interaction energy and orbital occupations for molecules with…
Self-interaction is a fundamental flaw of practical Kohn-Sham Density Functional Theory (KS DFT) approximations responsible for numerous qualitative and even catastrophic shortcomings. Whereas self-interaction is easy to characterize in…
The two-dimensional Heisenberg spin-glass model is investigated by means of a semiclassical expansion around classical states. At leading order, we obtain an effective quadratic spin-wave Hamiltonian and study the localization properties of…
The molecular density functional theory of fluids provides an exact theory for computing solvation free energies in implicit solvents. One of the reasons it has not received nearly as much attention as quantum density functional theory for…
A semiclassical theory of a quantum spin$-S$ model with competing ring and Heisenberg exchange terms on the triangular lattice is obtained. A mechanism for the generation of $Z_2$ vortices is exhibited. The vortices are shown to carry a…
In general relativity, the motion of an extended body moving in a given spacetime can be described by a particle on a (generally non-geodesic) worldline. In first approximation, this worldline is a geodesic of the underlying spacetime, and…
An exact-diagonalization technique on small clusters is used to study the dynamics of the one-dimensional symmetric Anderson lattice model. Our calculated excitation spectra reproduce key features expected for an infinite Kondo lattice such…
Frustration in classical spin models can lead to degenerate ground states without long range order. In reciprocal space, these degeneracies appear as manifolds of wave vectors, their dimensionality increasing with the degree of frustration…
Aspects of Density Functional Resonance Theory (DFRT) [Phys. Rev. Lett. \textbf{107}, 163002 (2011)], a recently developed complex-scaled version of ground-state Density Functional Theory (DFT), are studied in detail. The asymptotic…
We present a metric-space approach to quantify the performance of density-functional approximations for interacting many-body systems and to explore the validity of the Hohenberg-Kohn-type theorem on fermionic lattices. This theorem…
Mesoscopic theory for soft-matter systems that combines density functional and statistical field theory is derived from the microscopic theory by a systematic coarse-graining procedure. Within the framework of this theory we obtain the…
We introduce a new class of exchange-correlation potentials for a static and time-dependent Density Functional Theory of strongly correlated systems in 3D. The potentials are obtained via Dynamical Mean Field Theory and, for strong enough…
Recently, much attention has been given to a noteworthy property of some soft tissues: their ability to grow. Many attempts have been made to model this behaviour in biology, chemistry and physics. Using the theory of finite elasticity,…
The derivative discontinuity of the exchange-correlation (xc) energy at integer particle number is a property of the exact, unknown xc functional of density functional theory (DFT) which is absent in many popular local and semilocal…
We present an analytic approach to study concurrent influence of quenched non-magnetic site-dilution and finiteness of the lattice on the 2D XY model. Two significant deeply connected features of this spin model are: a special type of…
Density functional theory provides the most widespread framework for the realistic description of the electronic structure of solids, but the description of strongly-correlated systems has remained so far elusive. Here we consider a…
Density-functional theory is utilized to investigate the zero-temperature transition from a Fermi liquid to an inhomogeneous stripe, or Wigner crystal phase, predicted to occur in a one-component, spin-polarized, two-dimensional dipolar…