Covalency in the actinide dioxides: Systematic study of the electronic properties using screened hybrid density functional theory

2007 ◽  
Vol 76 (3) ◽  
Author(s):  
Ionut D. Prodan ◽  
Gustavo E. Scuseria ◽  
Richard L. Martin
Keyword(s):  
Density Functional Theory ◽  
Electronic Properties ◽  
Systematic Study ◽  
Density Functional ◽  
Hybrid Density Functional Theory ◽  
Functional Theory ◽  
Hybrid Density Functional

scholarly journals A systematic study of chloride ion solvation in water using van der Waals inclusive hybrid density functional theory

2015 ◽  
Vol 113 (17-18) ◽  
pp. 2842-2854 ◽  
Author(s):  
Arindam Bankura ◽  
Biswajit Santra ◽  
Robert A. DiStasio ◽  
Charles W. Swartz ◽  
Michael L. Klein ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Systematic Study ◽  
Density Functional ◽  
Van Der Waals ◽  
Chloride Ion ◽  
Ion Solvation ◽  
Hybrid Density Functional Theory ◽  
Functional Theory ◽  
Hybrid Density Functional

Luminescence and electronic properties of Ba2MgSi2O7:Eu2+: a combined experimental and hybrid density functional theory study

2014 ◽  
Vol 2 (39) ◽  
pp. 8328-8332 ◽  
Author(s):  
Jing Yan ◽  
Lixin Ning ◽  
Yucheng Huang ◽  
Chunmeng Liu ◽  
Dejian Hou ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Electronic Properties ◽  
Density Functional ◽  
Low Voltage ◽  
Hybrid Density Functional Theory ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Hybrid Density Functional

Luminescence and electronic properties of Ba2MgSi2O7:Eu2+ were investigated under optical and low-voltage cathode ray excitations and by hybrid DFT calculations.

Sign in / Sign up

Export Citation Format

Share Document