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Cover Picture: (Isr. J. Chem. 8‐9/2020)
Author(s) -
Dan Thomas Major,
Leeor Kronik
Publication year - 2020
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.202080801
Subject(s) - chemistry , tetragonal crystal system , density functional theory , formula unit , crystallography , cover (algebra) , unit (ring theory) , nickel , computational chemistry , crystal structure , organic chemistry , mechanical engineering , engineering , mathematics education , mathematics
The cover picture presents a collage of images taken from contributions to this issue, which represent the multiple aspects of Computational Materials Science in Israel. Clockwise from lower left: electron density computed using density functional theory in LiNO 2 , Nickel – purple, Oxygen – red, A. Chakraborty et al.; unit cells of ABO3 perovskites (A cations are at the corners of the unit cells, B cations are at the center of those cells): tetragonal PbTiO 3 , cubic BaTiO 3 , tetragonal BaTiO 3 , supertetragonal BiCoO 3 , Cohen and Di8guez; magnetic unit cell of Cu 2 MgO 3 , Cu atoms are shown in blue, O atoms in red, and Mg atoms in orange. The spin direction (up or down) is illustrated by the arrows, M. Yekutiel et al. The background presents JacobQs ladder of density functional approximations to the exchangecorrelation energy. The ladder adds theoretical ingredients successively, leading up in five steps from a theory of weak or no chemical bonding to the heaven of chemical accuracy, Martin and Santra.