Zobrazeno 1 - 10
of 555 245
pro vyhledávání: '"Kohn OF"'
In this paper, a novel $h$-adaptive isogeometric solver utilizing high-order hierarchical splines is proposed to solve the all-electron Kohn--Sham equation. In virtue of the smooth nature of Kohn--Sham wavefunctions across the domain, except at the n
Externí odkaz:
http://arxiv.org/abs/2412.12580
Twisted bilayer graphene (TBG) has attracted great interest in the last decade due to the novel properties it exhibited. It was revealed that e-phonon interaction plays an important role in a variety of phenomena in this system, such as superconducti
Externí odkaz:
http://arxiv.org/abs/2410.20065
Autor:
Deng, Shengbing, Tian, Xingliang
In this paper, we first classify all radially symmetry solutions of the following weighted fourth-order equation \begin{equation*} \Delta(|x|^{-\gamma}\Delta u)=|x|^\gamma u^{\frac{N+4+3\gamma}{N-4-\gamma}},\quad u\geq 0 \quad \mbox{in}\quad \mathbb{
Externí odkaz:
http://arxiv.org/abs/2410.04530
Autor:
Loos, Pierre-François, Giarrusso, Sara
Building on our recent study [https://doi.org/10.1021/acs.jpclett.3c02052, J. Phys. Chem. Lett. 14, 8780 (2023)], we explore the generalization of the ground-state Kohn-Sham (KS) formalism of density-functional theory (DFT) to the (singlet) excited s
Externí odkaz:
http://arxiv.org/abs/2412.14945
Using high-energy-resolution inelastic x-ray scattering, we observe anomalous softening and damping of the transverse acoustic phonon in UPt$_2$Si$_2$ as the system is cooled towards the charge density wave (CDW) transition temperature, T$_{\rm{CDW}}
Externí odkaz:
http://arxiv.org/abs/2412.10346
We propose to expand the territory of density functional theory to strongly-correlated electrons by reformulating the Kohn-Sham ansatz in the representation of fractionalized particles. We call it the ''KS* ansatz''. Using inhomogeneous t-J chains as
Externí odkaz:
http://arxiv.org/abs/2412.01061
Autor:
Jahin, Ammar, Lin, Shi-Zeng
We study the effect of the electron wavefunction on Kohn-Luttinger superconductivity. The role of the wavefunction is encoded in a complex form factor describing the topology and geometry of the bands. We show that the electron wavefunction significa
Externí odkaz:
http://arxiv.org/abs/2411.09664
Autor:
Luo, Zheming, Kuang, Yang
In this paper, we introduce a highly accurate and efficient numerical solver for the radial Kohn--Sham equation. The equation is discretized using a high-order finite element method, with its performance further improved by incorporating a parameter-
Externí odkaz:
http://arxiv.org/abs/2411.04701
Autor:
Kuang, Yang, Hu, Guanghui
In this paper, we propose a novel eigenpair-splitting method, inspired by the divide-and-conquer strategy, for solving the generalized eigenvalue problem arising from the Kohn-Sham equation. Unlike the commonly used domain decomposition approach in d
Externí odkaz:
http://arxiv.org/abs/2411.04661
We consider a family of critical elliptic equations which arise as the Euler-Lagrange equation of Caffarelli-Kohn-Nirenberg inequalities, possibly in convex cones in $\mathbb{R}^d$, with $d\geq 2$. We classify positive solutions without assuming that
Externí odkaz:
http://arxiv.org/abs/2410.09478