Split representation of adaptively compressed polarizability operator

The polarizability operator plays a central role in density functional perturbation theory and other perturbative treatment of first principle electronic structure theories. The cost of computing the polarizability operator generally scales as $\mathcal{O}(N_{e}^4)$ where $N_e$ is the number of electrons in the system. The recently developed adaptively compressed polarizability operator (ACP) formulation [L. Lin, Z. Xu and L. Ying, Multiscale Model. Simul. 2017] reduces such complexity to $\mathcal{O}(N_{e}^3)$ in the context of phonon calculations with a large basis set for the first time, and demonstrates its effectiveness for model problems. In this paper, we improve the performance of the ACP formulation by splitting the polarizability into a near singular component that is statically compressed, and a smooth component that is adaptively compressed. The new split representation maintains the $\mathcal{O}(N_e^3)$ complexity, and accelerates nearly all components of the ACP formulation, including Chebyshev interpolation of energy levels, iterative solution of Sternheimer equations, and convergence of the Dyson equations. For simulation of real materials, we discuss how to incorporate nonlocal pseudopotentials and finite temperature effects. We demonstrate the effectiveness of our method using one-dimensional model problem in insulating and metallic regimes, as well as its accuracy for real molecules and solids.Comment: 32 pages, 8 figures. arXiv admin note: text overlap with arXiv:1605.0802

Electromagnetic decays of vector mesons as derived from QCD sum rules

We apply the method of QCD sum rules in the presence of external electromagnetic fields $F_{\mu\nu}$ to the problem of the electromagnetic decays of various vector mesons, such as $\rho\to\pi\gamma$, $K^\ast\to K\gamma$ and $\eta'\to\rho\gamma$. The induced condensates obtained previously from the study of baryon magnetic moments are adopted, thereby ensuring the parameter-free nature of the present calculation. Further consistency is reinforced by invoking various QCD sum rules for the meson masses. The numerical results on the various radiative decays agree very well with the experimental data.Comment: To appear in Phys. Lett.

A Type of Nonlinear Fr\'echet Regressions

The existing Fr\'echet regression is actually defined within a linear framework, since the weight function in the Fr\'echet objective function is linearly defined, and the resulting Fr\'echet regression function is identified to be a linear model when the random object belongs to a Hilbert space. Even for nonparametric and semiparametric Fr\'echet regressions, which are usually nonlinear, the existing methods handle them by local linear (or local polynomial) technique, and the resulting Fr\'echet regressions are (locally) linear as well. We in this paper introduce a type of nonlinear Fr\'echet regressions. Such a framework can be utilized to fit the essentially nonlinear models in a general metric space and uniquely identify the nonlinear structure in a Hilbert space. Particularly, its generalized linear form can return to the standard linear Fr\'echet regression through a special choice of the weight function. Moreover, the generalized linear form possesses methodological and computational simplicity because the Euclidean variable and the metric space element are completely separable. The favorable theoretical properties (e.g. the estimation consistency and presentation theorem) of the nonlinear Fr\'echet regressions are established systemically. The comprehensive simulation studies and a human mortality data analysis demonstrate that the new strategy is significantly better than the competitors