We extend the previously proposed one-parameter double-hybrid density-functional theory [K. Sharkas, J. Toulouse, and A. Savin, J. Chem. Phys. 134, 064113 (2011)] to meta-generalized-gradient-approximation (meta-GGA) exchange-correlation density functionals. We construct several variants of one-parameter double-hybrid approximations using the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA funct...

background: it is hypothesized that the impacts of life events accumulate and can trigger and promote atherosclerosis in susceptible individuals. in the current study, the correlation of total life stressors during 1 year was investigated relative to coronary artery disease (cad). methods: the study population consisted of 148 males and 152 females aged 35–76 years. the subjects were classified...

Semilocal density functionals for the exchange-correlation energy are needed for large electronic systems. The Tao-Perdew-Staroverov-Scuseria (TPSS) meta-generalized gradient approximation (meta-GGA) is semilocal and usefully accurate, but predicts too-long lattice constants. Recent "GGA's for solids" yield good lattice constants but poor atomization energies of molecules. We show that the cons...

High-order harmonic resonance is a key issue in the traction power supply systems (TPSS) of electric railways for safe operation. The effective evaluation frequency critical taking measures to suppress resonance. In this paper, influence distributed parameters networks on frequencies based accurate calculation proposed. quantitative assessments impedance and admittance are investigated. Further...

This paper proposes a quasi-optimal power flow (OPF) algorithm for flexible DC traction systems (TPSs). Near-optimal OPF solutions can be solved with high computational efficiency by quasi-OPF. Unlike conventional algorithms, quasi-OPF does not utilize mathematical optimization algorithms but adopts new methodology. First, we adopt modeling method and successfully reveal the physical meaning of...

INTRODUCTION For accurate dose calculations, it is necessary to provide a correct relationship between the CT numbers and electron density in radiotherapy treatment planning systems (TPSs). The purpose of this study was to investigate the energy dependence of measured CT numbers on substituted materials used for CT number calibration of radiotherapy TPSs and the resulting errors in the treatmen...

A variational, self-consistent implementation of the Perdew-Zunger self-interaction correction (PZ-SIC), based on a unified Hamiltonian and complex optimal orbitals, is presented for finite systems and atom-centered basis sets. A simplifying approximation allowing the use of real canonical orbitals is proposed. The algorithm is based on two-step self-consistent field iterations, where the updat...

Abstract The reliable function in vivo of self‐powered implantable bioelectric devices (iBEDs) requires biocompatible, seamless, effective interactions with biological tissues. Herein, an tissue‐adhesive piezoelectric soft sensor (TPSS), which the converts biomechanical signals into electrical signals, and adhesive hydrogel (AH) strengthens this conversion by seamlessly adhering on wet curvilin...