INTRODUCTION: Density functional theory (DFT) is a widely used method for calculating the electronic properties of materials. The method is based on the idea of approximating the many-electron wave ...

Quantum similarity and density functional theory (DFT) constitute complementary approaches that provide deep insights into the electronic and structural properties of molecules. At its core, quantum ...

Due to its high electron mobilities at ambient temperature and peculiar electronic behaviors like the quantum hall effect, which imitates massless transportation and results in high superconductivity, ...

Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a ...

My group started working on hybrid DFT three years ago when we began our collaboration with the Park group, with whom we were trying to understand the properties of conducting metal-organic frameworks ...

Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a comprehensive review of ...