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Quantum mechanics application special functions

The Wiener-Khinchin theorem is a special case of Bocliner theorem applicable to time averages of stationary stochastic variables. Bochner s theorem enables the Wiener-Khinchin theorem to be applied to ensemble averaged time-correlation functions in quantum mechanics where it is difficult to think of properties as stochastic processes. [Pg.57]

Basing on the first principles of Quantum mechanics as exposed in the previous chapters and sections, special chapters of quantum theory are here unfolded in order to further extend and caching the quantum information from free to observed evolution within the matter systems with constraints (boundaries). As such, the Feynman path integral formalism is firstly exposed and then applied to atomic, quantum barrier and quantum harmonically vibration, followed by density matrix approach, opening the Hartree-Fock and Density Functional pictures of many-electronic systems, with a worthy perspective of electronic occupancies via Koopmans theorem, while ending with a further generalization of the Heisenberg observability and of its first application to mesosystems. [Pg.359]

In the present chapter, the stability and properties of the nanostructured aluminosilicates wiU be reviewed and discussed with the focus on the computer modeling of such systems. The first theoretical investigations on the aluminosilicate NTs were mostly based on force fields specially developed for these systems (Tamura Kawamura, 2002). The size of the unit cell is normally a limitation for using quantum mechanical calculations. Notwithstanding, quantum mechanical methods are being apvplied to such systems. Density functional theory (DPT), presently the most popular method to perform quantum-mechanical calculations, is the state-of-the-art method to study day mineral nanotubes with high predictive power. First applications used the apvproximation to DFT implemented to the SIESTA (Artacho et ah, 1999 Soler et ah, 2002) code, which uses pseudo potentials and localized numerical atomic-orbital basis sets and it is well parallelized for multicore machines. Recently, the helical symmetry has been implemented in the CRYSTAL (Dovesi et... [Pg.4]


See other pages where Quantum mechanics application special functions is mentioned: [Pg.110]    [Pg.2]    [Pg.34]    [Pg.325]    [Pg.131]    [Pg.260]    [Pg.5]    [Pg.318]    [Pg.57]    [Pg.495]    [Pg.3]    [Pg.92]    [Pg.68]    [Pg.252]    [Pg.197]    [Pg.82]    [Pg.273]    [Pg.633]    [Pg.8]    [Pg.489]    [Pg.407]    [Pg.356]   
See also in sourсe #XX -- [ Pg.104 , Pg.105 , Pg.106 , Pg.107 , Pg.108 , Pg.109 , Pg.110 , Pg.111 , Pg.112 , Pg.113 , Pg.114 , Pg.115 ]




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Quantum mechanics application

Special applications

Special functions

Specialized Applications

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