Related papers: Finite-Temperature Gutzwiller Approximation from T…
The magnetic susceptibility of the one-dimensional Hubbard model with open boundary conditions at arbitrary filling is obtained from field theory at low temperatures and small magnetic fields, including leading and next-leading orders.…
Some rigorous conclusions of the Hubbard model, Kondo lattice model and periodic Anderson model at finite temperature are acquired employing the fluctuation-dissipation theorem and particle-hole transform. The main conclusion states that…
We present a novel, thermodynamically consistent modification of the Pitzer-Debye-H\"uckel term and its extension for concentration dependent density, molar mass and relative permittivity. This extension is validated for ionic liquids by…
Using the methodology of conditional-probability density functional theory, and several mild assumptions, we calculate the temperature-dependence of the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA). This…
In this work, a second-order approximation of the fractional substantial derivative is presented by considering a modified shifted substantial Gr\"{u}nwald formula and its asymptotic expansion. Moreover, the proposed approximation is…
Applying the thermo field dynamics, we reformulate exact quantum number projection in the finite-temperature Hartree-Fock-Bogoliubov theory. Explicit formulae are derived for the simultaneous projection of particle number and angular…
For fluctuating currents in non-equilibrium steady states, the recently discovered thermodynamic uncertainty relation expresses a fundamental relation between their variance and the overall entropic cost associated with the driving. We show…
We present a simple and complete variational approach to the one-dimensional quantum Frenkel-Kontorova model. Dirac's time-dependent variational principle is adopted together with a Hatree-type many-body trial wavefunction for the atoms.…
In this paper, the cross section for the Compton scattering process at finite temperature is calculated. Temperature effects are introduced using the Thermofield Dynamics (TFD) formalism. It is a real-time finite temperature quantum field…
We investigate the orbital selective Mott transition in two-band Hubbard models by means of the Gutzwiller variational theory. In particular, we study the influence of a finite local hybridisation between electrons in different orbitals on…
The main flaw of the well-known Brinkman-Rice description, obtained through the Gutzwiller approximation, of the paramagnetic Mott transition in the Hubbard model is in neglecting high-energy virtual processes that generate for instance the…
In view of the recent quest for well-behaved nonlinear extensions of the traditional Schroedinger-von Neumann unitary dynamics that could provide fundamental explanations of recent experimental evidence of loss of quantum coherence at the…
We consider a boundary value problem involving a Riemann-Liouville fractional derivative of order $\alpha\in (3/2,2)$ on the unit interval $(0,1)$. The standard Galerkin finite element approximation converges slowly due to the presence of…
A density functional theory (DFT) approach to computing transition metal oxide heat of formation without adjustable parameters is presented. Different degrees of $d$-electron localization in oxides are treated within the DFT+$U$ approach…
We present an extension of the second-principles density functional theory (SPDFT) method to perform time-dependent simulations. Our approach, which calculates the evolution of the density matrix in real time and real space using the…
The heat kernel expansion for field theory at finite temperature is constructed. It is based on the imaginary time formalism and applies to generic Klein-Gordon operators in flat space-time. Full gauge invariance is manifest at each order…
We develop a fully discrete scheme for time-fractional diffusion equations by using a finite difference method in time and a finite element method in space. The fractional derivatives are used in Caputo sense. Stability and error estimates…
An embedding method for solving the time-dependent Schr\"odinger equation is developed using the Dirac-Frenkel variational principle. Embedding allows the time-evolution of the wavefunction to be calculated explicitly in a limited region of…
In this work, we develop variational formulations of Petrov-Galerkin type for one-dimensional fractional boundary value problems involving either a Riemann-Liouville or Caputo derivative of order $\alpha\in(3/2, 2)$ in the leading term and…
In this work, we introduce a new space-time variational formulation of the second-order wave equation, where integration by parts is also applied with respect to the time variable, and a modified Hilbert transformation is used. For this…