Performance of hybrid exchange-correlation potential for photocatalytic silver chromate and molybdate: LCAO theory and Compton spectroscopy - Meena, Seema Kumari; Heda, N.L.; Arora, Gunjan; Meena, Lekhraj; Ahuja, B.L. (Physica. B, Condensed matter, 2019)
Keywords: Approximation; Band gap; Cesium 137; Cesium isotopes; Chemical compounds; Chromates; Chromium; Density; Density functional theory; Density of states; Electron density profiles; Electronic structure; Electrons; Energy bands; Exchanging; LCAO calculations; Molybdenum; Photocatalysis; Silver compounds; X-ray scattering; LCAO calculations; Density functional theory; X-ray scattering; Electronic structure