Abstract
For the past 40 years density functional theory (DFT) has been the dominant method for the quantum mechanical simulation of periodic systems, predicting the ground state properties of metals, semiconductors, and insulators with great success. This success not only encompasses standard bulk materials but also complex materials such as proteins, polymers, solids, nanostructures and...
Abstract
For the past 40 years density functional theory (DFT) has been the dominant method for the quantum mechanical simulation of periodic systems, predicting the ground state properties of metals, semiconductors, and insulators with great success. This success not only encompasses standard bulk materials but also complex materials such as proteins, polymers, solids, nanostructures and...
