HeatIn thermodynamics, heat is the thermal energy transferred between systems due to a temperature difference. In colloquial use, heat sometimes refers to thermal energy itself. An example of formal vs. informal usage may be obtained from the right-hand photo, in which the metal bar is "conducting heat" from its hot end to its cold end, but if the metal bar is considered a thermodynamic system, then the energy flowing within the metal bar is called internal energy, not heat.
Heat equationIn mathematics and physics, the heat equation is a certain partial differential equation. Solutions of the heat equation are sometimes known as caloric functions. The theory of the heat equation was first developed by Joseph Fourier in 1822 for the purpose of modeling how a quantity such as heat diffuses through a given region. As the prototypical parabolic partial differential equation, the heat equation is among the most widely studied topics in pure mathematics, and its analysis is regarded as fundamental to the broader field of partial differential equations.
Chiral symmetry breakingIn particle physics, chiral symmetry breaking is the spontaneous symmetry breaking of a chiral symmetry – usually by a gauge theory such as quantum chromodynamics, the quantum field theory of the strong interaction. Yoichiro Nambu was awarded the 2008 Nobel prize in physics for describing this phenomenon ("for the discovery of the mechanism of spontaneous broken symmetry in subatomic physics").
Theoretical chemistryTheoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation. Theoretical chemistry unites principles and concepts common to all branches of chemistry. Within the framework of theoretical chemistry, there is a systematization of chemical laws, principles and rules, their refinement and detailing, the construction of a hierarchy.
Entropy productionEntropy production (or generation) is the amount of entropy which is produced during heat process to evaluate the efficiency of the process. Entropy is produced in irreversible processes. The importance of avoiding irreversible processes (hence reducing the entropy production) was recognized as early as 1824 by Carnot. In 1865 Rudolf Clausius expanded his previous work from 1854 on the concept of "unkompensierte Verwandlungen" (uncompensated transformations), which, in our modern nomenclature, would be called the entropy production.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
QuestionA question is an utterance which serves as a request for information. Questions are sometimes distinguished from interrogatives, which are the grammatical forms typically used to express them. Rhetorical questions, for instance, are interrogative in form but may not be considered bona fide questions, as they are not expected to be answered. Questions come in a number of varieties. Polar questions are those such as the English example "Is this a polar question?", which can be answered with "yes" or "no".
Yes–no questionIn linguistics, a yes–no question, also known as a binary question, a polar question, or a general question, is a question whose expected answer is one of two choices, one that provides an affirmative answer to the question versus one that provides a negative answer to the question. Typically, in English, the choices are either "yes" or "no". Yes–no questions present an exclusive disjunction, namely a pair of alternatives of which only one is a felicitous answer.
Electron densityElectron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typically denoted as either or . The density is determined, through definition, by the normalised -electron wavefunction which itself depends upon variables ( spatial and spin coordinates). Conversely, the density determines the wave function modulo up to a phase factor, providing the formal foundation of density functional theory.
Local-density approximationLocal-density approximations (LDA) are a class of approximations to the exchange–correlation (XC) energy functional in density functional theory (DFT) that depend solely upon the value of the electronic density at each point in space (and not, for example, derivatives of the density or the Kohn–Sham orbitals). Many approaches can yield local approximations to the XC energy. However, overwhelmingly successful local approximations are those that have been derived from the homogeneous electron gas (HEG) model.
