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.
