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  4. Semi-infinite metallic system: QST versus DFT

Semi-infinite metallic system: QST versus DFT

MMC.
2022;
Volume 9, Number 1
: pp. 178–185
https://doi.org/10.23939/mmc2022.01.178
Received: August 03, 2021
Revised: December 20, 2021
Accepted: January 05, 2022

Mathematical Modeling and Computing, Vol. 9, No. 1, pp. 178–185 (2022)

Authors:
  1. P. P. Kostrobij
  2. B. M. Markovych
  3. I. A. Ryzha
1
Lviv Polytechnic National University
2
Lviv Polytechnic National University
3
Lviv Polytechnic National University

Modeling and investigation of thermodynamic characteristics of spatially-finite  metallic systems is an essential task of modern nanophysics.  We show that the widely used DFT (density functional theory) is less efficient than the QST (quantum-statistical theory) approach.

semi-infinite metal
density functional theory
many-particle density matrix
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