The accurate prediction of electronic and optical properties of molecules and solids is a persistent challenge for methods based on density functional theory. We propose a generalization of dielectricdependent hybrid functionals to finite systems where the definition of the mixing fraction of exact and semilocal exchange is physically motivated, nonempirical, and system dependent. The proposed ...

Electrodeposition experiments of the charge-transfer complex copper tetracyanoquinodimethane (CuTCNQ) (where TCNQ denotes 7,7',8,8'-tetracyanoquinodimethane) on noble metal electrodes (M=Pt and Au) were optimized in order to produce suitable layers for bipolar resistive switching cross-bar M/CuTCNQ/Al memory cells. Corresponding memories exhibited up to more than 10 000 consecutive write/erase ...

2014 The cohesive energy of a lattice of metallic chains is calculated as a perturbation expansion of the Coulomb interaction, which is assumed small relative to the intrachain overlap integrals. The expansion contains the Van der Waals like interactions associated with the metallic polarizabilities of the chains. For sufficiently large forward interchain coupling (backward contribution neglect...

The synthesis, structural, thermal, and magnetic properties of a series simple binary organic salts based on the radical anion 7,7,8,8-tetracyanoquinodimethane (TCNQ) 4-(N-alkylpyridinium-3-yl)-1,2,3,5-dithiadiazolyl (DTDA), 1R (R = Et, Pr, Bu), cations their heavier selenium analogues (DSDA), 2R, are described. Single-crystal X-ray structural analyses reveal that short alkyl substituents pyrid...