Browsing Theoretical and Applied Physics by Subject "Iyomo Irewole"
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Towards a New Exchange-Correlation Density Functional for more Accurate Band Gap Predictions
(2016-06-17)Density-Functional Theory (DFT) offers a simplification to electronic structure problems by using the electron density instead of the wave-function. Unlike the wave-function which is a function of 3N variables (excluding ...