Nonlinear instability of density-independent orbital-free kinetic-energy functionals

Overview of Molecular Orbital Theory

The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...

Molecular Orbital Energy Diagrams

In mechanical engineering, one-degree-of-freedom systems form the basis of a wide range of electrical and mechanical components. Using these models, engineers can predict the behavior of various parts in a larger system, which gives them insight into how different forces interact with each other.
A one-degree-of-freedom system is defined by an independent variable that determines its state and behavior. One example of a one-degree-of-freedom system is a simple harmonic oscillator, such as a...

Stability is an important concept in oscillation. If an equilibrium point is stable, a slight disturbance of an object that is initially at the stable equilibrium point will cause the object to oscillate around that point. For an unstable equilibrium point, if the object is disturbed slightly, it will not return to the equilibrium point. There are three conditions for equilibrium points—stable, unstable, and half-stable. A half-stable equilibrium point is also unstable, but is named so because...

Understanding the stability of equilibrium configurations is a fundamental part of mechanical engineering. In any system, there are three distinct types of equilibrium: stable, neutral, and unstable.
A stable equilibrium occurs when a system tends to return to its original position when given a small displacement, and the potential energy is at its minimum. An example of a stable equilibrium is when a cantilever beam is fixed at one end and a weight is attached to the other end. If the weight...