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chemical pseudopotential method

PARSEC — For the astronomical distance measure, see parsec. PARSEC is a package designed to perform electronic structure calculations of solids and molecules using density functional theory (DFT). The acronym stands for Pseudopotential Algorithm for Real… … Wikipedia
Diatomic carbon — IUPAC name Diatomic carbon Systematic name Ethenediylidene … Wikipedia
Density functional theory — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory … Wikipedia
Radon — This article is about the chemical element. For other uses, see Radon (disambiguation). astatine ← radon → francium Xe ↑ Rn ↓ Uuo … Wikipedia
Basis set (chemistry) — A basis set in chemistry is a set of functions used to create the molecular orbitals, which are expanded as a linear combination of such functions with the weights or coefficients to be determined. Usually these functions are atomic orbitals, in… … Wikipedia
Uranium trioxide — IUPAC name Uranium trioxide Uranium(VI) oxide … Wikipedia
XANES — X ray Absorption Near Edge Structure (XANES), also known as Near edge X ray absorption fine structure (NEXAFS) is a type of absorption spectroscopy. NEXAFS also at times used the abbreviation EXAFS. XANES data indicate the absorption peaks due to … Wikipedia