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Reloading Quantum Path Integral Formalism for Chemistry

3 RELOADING QUANTUM PATH INTEGRAL FORMALISM FOR CHEMISTRY [Pg.68]

Since the recent most celebrated quantum theory of Chemistry—the Density Functional Theory (DFT) is mainly based on density functionals, which relay on their turn on the many-body densities, the seek for [Pg.68]

for achieving such challenging task the complex mathematical-informatics and mathematical-physics seems to be at the foremost background for computational and conceptual Density Functional Chemistry, respectively. The present review was dedicated to the later goal that is to present the analytical framework in which the many-electronic systems may be described by the associate densities at various levels of conceptualization, approximation, and applications. [Pg.69]

Nevertheless, the density matrix—path integral description allows the general formulation for the many-electronic density through the so-called canonical density algorithm it prescribes that the system is firstly solved for the single electron evolution under the concerned potential for which the time-space density matrix is analytically formulated, in an evolution manner, as the propagator (x, x, tj then, the partition function is com- [Pg.69]

Quantum Nanochemistry— Volume II Quantum Atoms and Periodicity [Pg.70]


Reloading Quantum Path Integral Formalism for Chemistry.68... [Pg.63]




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