相关论文: On the Kirzhnits gradient expansion in two dimensi…
For an ideal D-dimensional Fermi gas under generic external confinement we derive the correcting coefficient $(D-2)/3D$ of the von Weizsacker term in the kinetic energy density. To obtain this coefficient we use the Kirzhnits semiclassical…
We present a general scheme based on nonlinear response theory to calculate the expansion of correlation functions such as the pair-correlation function or the exchange-correlation hole of an inhomogeneous many-particle system in terms of…
Density functional theory (DFT) is notorious for the absence of gradient corrections to the two-dimensional (2D) Thomas-Fermi kinetic-energy functional; it is widely accepted that the 2D analog of the 3D von Weizs\"acker correction…
We derive a generalized gradient approximation to the exchange energy to be used in density functional theory calculations of two-dimensional systems. This class of approximations has a long and successful history, but it has not yet been…
A mathematical framework is constructed for the sum of the lowest N eigenvalues of a potential. Exactness is illustrated on several model systems (harmonic oscillator, particle in a box, and Poschl-Teller well). Its order-by-order…
We examine the leading order semiclassical gradient corrections to the non-interacting kinetic energy density functional of a two dimensional Fermi gas by applying the extended Thomas-Fermi theory at finite temperature. We find a non-zero…
We study the performance of fourth-order gradient expansions of the kinetic energy density (KED) in semi-local kinetic energy functionals depending on the density-dependent variables. The formal fourth-order expansion is convergent for…
The semiclassical $\hbar$-expansion of the one-particle density matrix for a two-dimensional Fermi gas is calculated within the Wigner transform method of Grammaticos and Voros, originally developed in the context of nuclear physics. The…
The gradient expansion of the kinetic energy functional, when applied for atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the…
The one-body density matrix (ODM) for a zero temperature non-interacting Fermi gas can be approximately obtained in the semiclassical regime through different $\hbar$-expansion techniques. One would expect that each method of approximating…
The properties of the Kohn-Sham (KS) exchange potential for open systems in thermodynamical equilibrium, where the number of particles is non-conserved, are analyzed with the Optimized Effective Potential (OEP) method of Density Functional…
We prove that the inhomogeneous variant of Khintchine's Theorem holds in dimension $2$ without any monotonicity assumption. This resolves the last remaining case in the metric theory of inhomogeneous Diophantine approximation: while the…
It has been shown that gradient descent can yield the zero training loss in the over-parametrized regime (the width of the neural networks is much larger than the number of data points). In this work, combining the ideas of some existing…
Each real number $x\in[0,1]$ admits a unique power-2-decaying Gauss-like expansion (P2GLE for short) as $x=\sum_{i\in\mathbb{N}} 2^{-(d_1(x)+d_2(x)+\cdots+d_i(x))}$, where $d_i(x)\in\mathbb{N}$. For any $x\in(0,1]$, the Khintchine exponent…
The large-$Z$ asymptotic expansion of atomic energies has been useful in determining exact conditions for corrections to the local density approximation in density functional theory. The correction for exchange is fit well with a leading $Z…
The critical behavior of d-dimensional systems with an n-component order parameter is reconsidered at (m,d,n)-Lifshitz points, where a wave-vector instability occurs in an m-dimensional subspace of ${\mathbb R}^d$. Our aim is to sort out…
We present an efficient algorithm for obtaining the gauge-invariant gradient expansion of the local density of states and the free energy of a clean superconductor. Our method is based on a new mapping of the semiclassical linearized Gorkov…
Orbital-Free Density Functional Theory (OFDFT) has re-emerged as a viable alternative to Kohn-Sham DFT, driven by recent advances in kinetic energy density functionals (KEDFs). Nonlocal (NL) KEDFs have significantly extended OFDFT's…
A semiclassical second-order differential equation for the inhomogeneous local gap $\Delta(r)$ is derived from a strict second-order $\hbar$ expansion of the anomalous pairing tensor and compared with a similar equation given by Simonucci…
We study a system of charged, noninteracting classical particles moving in a Poisson distribution of hard-disk scatterers in two dimensions, under the effect of a magnetic field perpendicular to the plane. We prove that, in the low-density…