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Path Integral Connection With Density Functional Theory

6 PATH INTEGRAL CONNECTION WITH DENSITY FUNCTIONAL THEORY [Pg.248]

As the DFT prescribes, all the required main information about an elee-tronic state is found in its external potential. From the physieal point of [Pg.248]

Quantum Nanochemistry—Volume II Quantum Atoms and Periodicity [Pg.250]

As it was derived in the previous Section 4.6.5 the Mulliken density functional electronegativity requires the knowledge of the electronic density under the external potential influence. Being exposed all the ingredients for the analytical expression for the partition function with only the external potential dependence, the electronic density computed through out of Feymnan-Kleinert path integral algorithm takes the form, see also Eq. (2.11)  [Pg.250]

Here it is observed that the normalization condition looks like  [Pg.250]


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