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The second HK theorem defines an energy functional for the system and proves that the ground-state electron density minimizes this energy functional. In work that later won them the Nobel prize in chemistry, the HK theorem was further developed by Walter Kohn and Lu Jeu Sham to produce Kohn–Sham DFT (KS DFT).
The formal foundation of TDDFT is the Runge–Gross (RG) theorem (1984) [1] – the time-dependent analogue of the Hohenberg–Kohn (HK) theorem (1964). [2] The RG theorem shows that, for a given initial wavefunction, there is a unique mapping between the time-dependent external potential of a system and its time-dependent density.
In physics and quantum chemistry, specifically density functional theory, the Kohn–Sham equation is the non-interacting Schrödinger equation (more clearly, Schrödinger-like equation) of a fictitious system (the "Kohn–Sham system") of non-interacting particles (typically electrons) that generate the same density as any given system of interacting particles.
Japanese theorem for concyclic quadrilaterals (Euclidean geometry) John ellipsoid ; Jordan curve theorem ; Jordan–Hölder theorem (group theory) Jordan–Schönflies theorem (geometric topology) Jordan–Schur theorem (group theory) Jordan's theorem (multiply transitive groups) (group theory) Joubert's theorem ; Jung's theorem
Make clear the notion that the HK theorem is an exact theorem for the ground state and the functionals are where the approximations come in; Introduce LDA; Write about time-dependent DFT; Write about hybrid functionals, especially B3LYP.
The H-theorem is a natural consequence of the kinetic equation derived by Boltzmann that has come to be known as Boltzmann's equation. The H-theorem has led to considerable discussion about its actual implications, [6] with major themes being: What is entropy? In what sense does Boltzmann's quantity H correspond to the thermodynamic entropy?
With the Hardy–Littlewood maximal inequality in hand, the following strong-type estimate is an immediate consequence of the Marcinkiewicz interpolation theorem: Theorem (Strong Type Estimate). For d ≥ 1, 1 < p ≤ ∞, and f ∈ L p (R d), there is a constant C p,d > 0 such that
In mathematics, the Henstock–Kurzweil integral or generalized Riemann integral or gauge integral – also known as the (narrow) Denjoy integral (pronounced), Luzin integral or Perron integral, but not to be confused with the more general wide Denjoy integral – is one of a number of inequivalent definitions of the integral of a function.