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.
Self-conceptIn the psychology of self, one's self-concept (also called self-construction, self-identity, self-perspective or self-structure) is a collection of beliefs about oneself. Generally, self-concept embodies the answer to the question "Who am I?". The self-concept is distinguishable from self-awareness, which is the extent to which self-knowledge is defined, consistent, and currently applicable to one's attitudes and dispositions. Self-concept also differs from self-esteem: self-concept is a cognitive or descriptive component of one's self (e.
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Linear phaseIn signal processing, linear phase is a property of a filter where the phase response of the filter is a linear function of frequency. The result is that all frequency components of the input signal are shifted in time (usually delayed) by the same constant amount (the slope of the linear function), which is referred to as the group delay. Consequently, there is no phase distortion due to the time delay of frequencies relative to one another.
Lithium-ion batteryA lithium-ion or Li-ion battery is a type of rechargeable battery which uses the reversible reduction of lithium ions to store energy. The negative electrode of a conventional lithium-ion cell is typically graphite, a form of carbon. This negative electrode is sometimes called the anode as it acts as an anode during discharge. The positive electrode is typically a metal oxide; the positive electrode is sometimes called the cathode as it acts as a cathode during discharge.
Drug designDrug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target. The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient. In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the biomolecular target with which they interact and therefore will bind to it.
Self-esteemSelf-esteem is confidence in one's own worth, abilities or morals. Self-esteem encompasses beliefs about oneself (for example, "I am loved", "I am worthy") as well as emotional states, such as triumph, despair, pride, and shame. Smith and Mackie (2007) defined it by saying "The self-concept is what we think about the self; self-esteem, is the positive or negative evaluations of the self, as in how we feel about it (see Self).
Self-imageSelf-image is the mental picture, generally of a kind that is quite resistant to change, that depicts not only details that are potentially available to an objective investigation by others (height, weight, hair color, etc.), but also items that have been learned by persons about themselves, either from personal experiences or by internalizing the judgments of others. Self-image may consist of six types: Self-image resulting from how an individual sees oneself. Self-image resulting from how others see the individual.
Earthing systemAn earthing system (UK and IEC) or grounding system (US) connects specific parts of an electric power system with the ground, typically the Earth's conductive surface, for safety and functional purposes. The choice of earthing system can affect the safety and electromagnetic compatibility of the installation. Regulations for earthing systems vary among countries, though most follow the recommendations of the International Electrotechnical Commission (IEC).
Evidence-based practiceEvidence-based practice (EBP) is the idea that occupational practices ought to be based on scientific evidence. While seemingly obviously desirable, the proposal has been controversial, with some arguing that results may not specialize to individuals as well as traditional practices. Evidence-based practices have been gaining ground since the formal introduction of evidence-based medicine in 1992 and have spread to the allied health professions, education, management, law, public policy, architecture, and other fields.
