Orbital-free density functional theory (OFDFT) represents a promising reformulation of quantum mechanics for materials and molecular simulations. By expressing the kinetic energy solely as a ...
At its core, DFT postulates that the ground-state energy of a quantum system is a functional of the electron density. This principle, known as the Hohenberg-Kohn theorem, simplifies the problem of ...
As anyone who is familiar with personality trait theory knows, researchers have identified a “big five” of dispositional tendencies that reliably predict human behavioral patterns and show up almost ...
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