Related papers: Introducing fluctuation-driven order into density …

A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…

Spin-driven nematic order that has been proposed for iron-based superconductors is generated by pronounced fluctuations of a striped density wave state. On the other hand it is a well known fact that nematic order parameter couples…

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…

Intertwined orders exist ubiquitously in strongly correlated electronic systems and lead to intriguing phenomena in quantum materials. In this paper, we explore the unique opportunity of manipulating intertwined orders through entangling…

Systems whose underlying classical dynamics are chaotic exhibit signatures of the chaos in their quantum mechanics. We investigate the possibility of using time-dependent density functional theory (TDDFT) to study the case when chaos is…

We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…

Phase transitions occur when a macroscopic number of local degrees of freedom coherently change their behavior. In ground states of quantum many-body systems, phase transitions due to quantum fluctuations are observed as non-analytic…

We investigate the dynamics of superconducting fluctuations in the attractive three-dimensional Hubbard model after a quench from the disordered phase to the ordered regime. While the long time evolution is well understood in terms of…

Kohn-Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions…

The interplay between electron-electron interactions and weak localization (or anti-localization) phenomena in two-dimensional systems can significantly enhance the superconducting transition temperature. We develop the theory of quantum…

Many systems where interactions compete with each other or with constraints are well described by a model first introduced by Brazovskii. Such systems include block copolymers, alloys with modulated phases, Rayleigh-Benard Cells and type-I…

We suggest an approach to account for spatial (composition) and thermal fluctuations in "disordered" magnetic models (e.g. Heisenberg, Ising) with given spatial dependence of magnetic spin-spin interaction. Our approach is based on…

In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…

The functional defined as the squared modulus of the spatial average of the wave function squared, plays the role of an ``order parameter'' for the transition between Hamiltonian ensembles with orthogonal and unitary symmetry. Upon breaking…

We proposed in Ref. [arXiv:1812.09285v2] a way to improve energy density functionals in the density functional theory based on the combination of the inverse Kohn-Sham method and the density functional perturbation theory. In this…

We argue that recent neutron scattering measurements by Lake et. al. (Science 291, 1759 (2001)) of the spin excitation spectrum of LSCO in a magnetic field can be understood in terms of proximity to a phase with co-existing…

One of the potential applications of a quantum computer is solving quantum chemical systems. It is known that one of the fastest ways to obtain somewhat accurate solutions classically is to use approximations of density functional theory.…

Density-wave instabilities have been observed and studied in a multitude of materials. Most recently, in the context of unconventional superconductors like the iron-based superconductors, they have excited considerable interest. We analyze…

We study quantum-fluctuation-driven fractionalized phases in the vicinity of altermagnetic order. First, the long-range magnetic orders in the vicinity of collinear altermagnetism are identified; these feature a non-coplanar "orbital…

In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translates into qualitative and quantitative errors…