Related papers: Generalized Gradient Approximation Made Thermal
Taking accurate measurements of the temperature of quantum systems is a challenging task. The mathematical peculiarities of quantum information make it virtually impossible to measure with infinite precision. In the present paper, we…
We compute the single particle spectral function of a Bose liquid on a lattice, at integer filling, close to the superfluid-Mott transition. We use a `static path approximation' that retains all the classical thermal fluctuations in the…
The present theoretical study focuses on the structural, electronic and thermoelectric properties of PbTe, PbSe and their ternary alloys PbSe$_{x}$Te$_{1-x}$, using the density functional theory (DFT) by the full potential linearised…
We use a generic framework, namely the gradient discretisation method (GDM), to propose a unified numerical analysis for general time-dependent convection-diffusion-reaction models. We establish novel results for convergence rates of…
We consider a generalized uncertainty principle (GUP) corresponding to a deformation of the fundamental commutator obtained by adding a term quadratic in the momentum. From this GUP, we compute corrections to the Unruh effect and related…
The Cold Posterior Effect (CPE) is a phenomenon in Bayesian Deep Learning (BDL), where tempering the posterior to a cold temperature often improves the predictive performance of the posterior predictive distribution (PPD). Although the term…
Density functional theory at finite temperatures often relies on the zero-temperature approximation, which uses a ground-state exchange-correlation functional with thermalized densities. This approach, however, neglects the explicit…
The thermal equilibrium distribution over quantum-mechanical wave functions is a so-called Gaussian adjusted projected (GAP) measure, $GAP(\rho_\beta)$, for a thermal density operator $\rho_\beta$ at inverse temperature $\beta$. More…
We compute the corrections to the Schwarzschild metric necessary to reproduce the Hawking temperature derived from a Generalized Uncertainty Principle (GUP), so that the GUP deformation parameter is directly linked to the deformation of the…
We develop an extension of the Gutzwiller approximation to finite temperatures based on the Dirac-Frenkel variational principle. Our method does not rely on any entropy inequality, and is substantially more accurate than the approaches…
The concept of temperature is one of the key ideas in describing the thermodynamical properties of a physical system. In classical statistical mechanics of ideal gases, the notion of temperature can be described in two different ways, the…
The equipartition theorem states that inverse temperature equals the log-derivative of the density of states. This relation can be generalized by introducing a proportionality factor involving an increasing positive function phi(x). It is…
We analyze the generalization gap (gap between the training and test errors) when training a potentially over-parametrized model using a Markovian stochastic training algorithm, initialized from some distribution $\theta_0 \sim p_0$. We…
Using first-principles only, we calculate the melting point of MgO, also called periclase or magnesia. The random phase approximation (RPA) is used to include the exact exchange as well as local and non-local many-body correlation terms, in…
Accurate band gap prediction in semiconductors is crucial for materials science and semiconductor technology advancements. This paper extends the Perdew-Burke-Ernzerhof (PBE) functional for a wide range of semiconductors, tackling the…
We performed density functional calculations to estimate the formation energies of intermetallic alloys. We used two semilocal approximations, the generalized gradient approximation (GGA) by Perdew-Burke-Ernzerhof (PBE) and the strongly…
An approach to build Probabilistic Arithmetic in which initial values of all correlated random variables are known, but with varying degrees of accuracy. As a result of the proposed Probabilistic Arithmetic operations, variable values,…
The generalized equipartition theorem known as the conjugate variables theorem (Phys. Rev. E 86, 051136 [2012]), originally obtained in the context of statistical inference of continuous random variables, is extended in this work to the…
Pade approximants (PA's) are constructed from the perturbative coefficients of the free energy through O(g^5) in hot QCD. Pade summation is shown to reduce the renormalization-scale dependence substantially even at temperature (T) as low as…
The behavior of finite temperature planar electrodynamics is investigated. We calculate the static as well as dynamic characteristic functions using real time formalism. The temperature and density dependence of dielectric and permeability…