Platinum selenaide is a two-dimensional material formed by the layered combination of platinum (Pt) and selenium (Se). Its ...

Development of high-time-resolution measurement of electron temperature and density in a magnetically confined plasma A powerful tool for understanding transient plasma physics phenomena ...

While quantum mechanics explains the small-scale, low-energy behavior of electrons, relativity becomes important when those same electrons move fast enough for strange effects like spin-orbit coupling ...

Density functional theory took a wrong turn recently Studies of the electron density led to the discovery of disturbing trends in modern computational chemistry Peer-Reviewed Publication ...

In a new study, researchers at the Hong Kong University of Science and Technology (HKUST) have found that even trace amounts ...

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 ...

Density functional theory (DFT) is a widely used computational method for carrying out quantum calculations in chemistry, materials science, and biology research. Despite its enormous popularity ...

Density functional theory can give a range of different results when calculating the relative free energies of 1,3-butadiene and 2-butyne when users choose a coarse integration grid (top, black).

Utility of Density Functional Models for Predicting Properties of Graphene Due to the highly complex concepts and computer modeling used in the computational density functional theory technique, the ...

R. McWeeny, The Density Matrix in Many-Electron Quantum Mechanics. I. Generalized Product Functions. Factorization and Physical Interpretation of the Density Matrices, Proceedings of the Royal Society ...