- total-energy minimization
- фпп минимизация полной энергии
English-russian dictionary of physics. 2013.
total-energy minimization
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Energy minimization — (energy optimization) methods are common techniques to compute the equilibrium configuration of molecules. The basic idea is that a stable state of a molecular system should correspond to a local minimum of their potential energy. This kind of… … Wikipedia
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PARATEC — (PARAllel Total Energy Code) is a package that performs ab initio quantum mechanical total energy calculations using pseudopotentials and a plane wave basis set. PARATEC is designed primarily for a massively parallel computing platform and can… … Wikipedia
Chemical equilibrium — In a chemical reaction, chemical equilibrium is the state in which the concentrations of the reactants and products have not yet changed with time. It occurs only in reversible reactions, and not in irreversible reactions. Usually, this state… … Wikipedia
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Hilbert space — For the Hilbert space filling curve, see Hilbert curve. Hilbert spaces can be used to study the harmonics of vibrating strings. The mathematical concept of a Hilbert space, named after David Hilbert, generalizes the notion of Euclidean space. It… … Wikipedia
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