Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Modeling systems energy integration

This solution can be obtained explicitly either by matrix diagonalization or by other techniques (see chapter A3.4 and [42, 43]). In many cases the discrete quantum level labels in equation (A3.13.24) can be replaced by a continuous energy variable and the populations by a population density p(E), with replacement of the sum by appropriate integrals [Hj. This approach can be made the starting point of usefiil analytical solutions for certain simple model systems [H, 19, 44, 45 and 46]. [Pg.1051]

Investment decision support for integrated Heuristic regional infrastructure build-up Model for energy systems contains all LP... [Pg.389]

Kohn-Sham orbitals (18)), Vn is the external, nuclear potential, and p is the electronic momentum operator. Hence, the first integral represents the kinetic and potential energy of a model system with the same density but without electron-electron interaction. The second term is the classical Coulomb interaction of the electron density with itself. Exc> the exchange-correlation (XC) energy, and ENR are functionals of the density. The exact functional form for Exc is unknown it is defined through equation 1 (79), and some suitable approximation has to be chosen in any practical application of... [Pg.102]

The cornerstone of the field (the "Hartree-Fock" of Density Functional Theory) is the Local Density Approximation (LDA) also called the Local (Spin) Density (LSD) method Here the basic information on electron correlation, how electrons avoid each other, is taken from the uniform density electron gas Essentially exact calculations exist for this system (the Quantum Monte Carlo work of Ceperley and Alder) and this information from the homogeneous model is folded into the inhomogeneous case through the energy integral ... [Pg.9]


See other pages where Modeling systems energy integration is mentioned: [Pg.44]    [Pg.183]    [Pg.19]    [Pg.23]    [Pg.14]    [Pg.362]    [Pg.148]    [Pg.398]    [Pg.19]    [Pg.70]    [Pg.137]    [Pg.198]    [Pg.139]    [Pg.162]    [Pg.112]    [Pg.55]    [Pg.3]    [Pg.524]    [Pg.158]    [Pg.131]    [Pg.178]    [Pg.176]    [Pg.260]    [Pg.616]    [Pg.112]    [Pg.214]    [Pg.237]    [Pg.162]    [Pg.98]    [Pg.414]    [Pg.40]    [Pg.1990]    [Pg.145]    [Pg.127]    [Pg.297]    [Pg.98]    [Pg.216]    [Pg.208]    [Pg.439]    [Pg.99]    [Pg.359]    [Pg.71]    [Pg.270]    [Pg.103]    [Pg.126]   
See also in sourсe #XX -- [ Pg.274 , Pg.275 , Pg.276 , Pg.277 , Pg.278 ]




SEARCH



Energy integration

Integrable system

Integral energy

Integral models

Integrate modeling systems

Integrated energy

Integrated model

Integrated modeling system

Integrated system

Integrated/integrating model

Integrating System

Integrative model

Integrative modelling

Model integration

Systems integration

Systems integrators

© 2024 chempedia.info