Maximal violation of Clauser-Horne-Shimony-Holt inequality for two qutrits

Bell-Clauser-Horne-Shimony-Holt inequality (in terms of correlation functions) of two qutrits is studied in detail by employing tritter measurements. A uniform formula for the maximum value of this inequality for tritter measurements is obtained. Based on this formula, we show that non-maximally entangled states violate the Bell-CHSH inequality more strongly than the maximally entangled one. This result is consistent with what was obtained by Ac{\'{i}}n {\it et al} [Phys. Rev. A {\bf 65}, 052325 (2002)] using the Bell-Clauser-Horne inequality (in terms of probabilities).Comment: 6 pages, 3 figure

Tetra­aqua­{1-[(1H-1,2,3-benzotriazol-1-yl)meth­yl]-1H-1,2,4-triazole}sulfato­cobalt(II) dihydrate

In the title complex, [Co(SO4)(C9H8N6)(H2O)4]·2H2O, the CoII ion is six-coordinated by one N atom from a 1H-1,2,3-benzotriazol-1-yl)meth­yl]-1H-1,2,4-triazole ligand, one O atom from a monodentate sulfate ligand and four water mol­ecules in a slightly distorted octa­hedral geometry. The sulfate ligand is rotationally disordered over two sets of sites with refined occupancies of 0.662 (15) and 0.338 (15). In the crystal, complex mol­ecules and solvent water mol­ecules are linked through inter­molecular O—H⋯O and O—H⋯N hydrogen bonds into a three-dimensional network

First-Principles Calculation of Principal Hugoniot and K-Shell X-ray Absorption Spectra for Warm Dense KCl

Principal Hugoniot and K-shell X-ray absorption spectra of warm dense KCl are calculated using the first-principles molecular dynamics method. Evolution of electronic structures as well as the influence of the approximate description of ionization on pressure (caused by the underestimation of the energy gap between conduction bands and valence bands) in the first-principles method are illustrated by the calculation. Pressure ionization and thermal smearing are shown as the major factors to prevent the deviation of pressure from global accumulation along the Hugoniot. In addition, cancellation between electronic kinetic pressure and virial pressure further reduces the deviation. The calculation of X-ray absorption spectra shows that the band gap of KCl persists after the pressure ionization of the $3p$ electrons of Cl and K taking place at lower energy, which provides a detailed understanding to the evolution of electronic structures of warm dense matter

6-Meth­oxy-2-[(E)-phenyl­imino­meth­yl]phenol

The title compound, C14H13NO2, was obtained by the condensation reaction of o-vanillin and aniline in ethanol. The mol­ecule adopts the phenol–imine tautomeric form and an E conformation with respect to the azomethine C=N bond. The dihedral angle between the aromatic rings is 30.57 (10)°. In the crystal, mol­ecules are linked by inter­molecular C—H⋯O hydrogen bonds into zigzag chains parallel to the b axis

Tris{2-meth­oxy-6-[(4-methyl­phenyl)­iminiometh­yl]phenolato-κ2 O,O′}tris­(thio­cyanato-κN)cerium(III)

The asymmetric unit of the title compound, [Ce(NCS)3(C15H15NO2)3], contains three Schiff base 2-methoxy-6-[(4-methyl­phenyl)iminometh­yl]­phenol (HL) ligands and three independent thio­cyanate ions that coordinate the cerium ion via their N atoms. The protonated imine N atoms are involved in an intra­molecular hydrogen bond with the respective phenoxide group. The Ce(III) ion exhibits a coordination number of nine

Tetra­aqua­{1-[(1H-1,2,3-benzotriazol-1-yl)meth­yl]-1H-1,2,4-triazole}sulfato­cadmium dihydrate

In the title complex, [Cd(SO4)(C9H8N6)(H2O)4]·2H2O, the CdII ion is six-coordinated by one N atom from a 1-[(1H-1,2,3-benzotriazol-1-yl)meth­yl]-1H-1,2,4-triazole ligand and by five O atoms from four water mol­ecules and one monodentate sulfate anion in a distorted octa­hedral geometry. The sulfate tetra­hedron is rotationally disordered over two positions in a 0.651 (12):0.349 (12) ratio. In the crystal, adjacent mol­ecules are linked through O—H⋯O and O—H⋯N hydrogen bonds into a three-dimensional network