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The caveman is a stock character representative of primitive humans in the Paleolithic. The popularization of the type dates to the early 20th century, when Neanderthals were influentially described as " simian " or " ape -like" by Marcellin Boule [ 1 ] and Arthur Keith .
In atomic physics and quantum chemistry, the Aufbau principle (/ ˈ aʊ f b aʊ /, from German: Aufbauprinzip, lit. 'building-up principle'), also called the Aufbau rule, states that in the ground state of an atom or ion, electrons first fill subshells of the lowest available energy, then fill subshells of higher energy.
A graphic representation of Wheeler's calculations of what quantum reality may look like at the Planck length. Quantum foam (or spacetime foam, or spacetime bubble) is a theoretical quantum fluctuation of spacetime on very small scales due to quantum mechanics.
Ab initio quantum chemistry methods are a class of computational chemistry techniques based on quantum chemistry that aim to solve the electronic Schrödinger equation. [1] Ab initio means "from first principles" or "from the beginning", meaning using only physical constants [ 2 ] and the positions and number of electrons in the system as input.
The inert-pair effect is the tendency of the two electrons in the outermost atomic s-orbital to remain unshared in compounds of post-transition metals.The term inert-pair effect is often used in relation to the increasing stability of oxidation states that are two less than the group valency for the heavier elements of groups 13, 14, 15 and 16.
For typical ionic solids, the cations are smaller than the anions, and each cation is surrounded by coordinated anions which form a polyhedron.The sum of the ionic radii determines the cation-anion distance, while the cation-anion radius ratio + / (or /) determines the coordination number (C.N.) of the cation, as well as the shape of the coordinated polyhedron of anions.
Kohn–Sham (KS) density functional theory (KS-DFT) admits its own version of Koopmans' theorem (sometimes called the DFT-Koopmans' theorem) very similar in spirit to that of Hartree-Fock theory. The theorem equates the first (vertical) ionization energy I {\displaystyle I} of a system of N {\displaystyle N} electrons to the negative of the ...
Another way of looking at the theorem is to start with the definition of the Gibbs free energy (G), =, where H stands for enthalpy. For a change from reactants to products at constant temperature and pressure the equation becomes Δ G = Δ H − T Δ S {\displaystyle \Delta G=\Delta H-T\Delta S} .