Quantum-statistical calculation of the properties of a mixture of chemical elements allowing for fluctuations in the occupation numbers of electron states

DOI10.1016/0041-5553(87)90010-3zbMath0664.65087OpenAlexW2098432520MaRDI QIDQ3814678

Publication date: 1987

Published in: USSR Computational Mathematics and Mathematical Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0041-5553(87)90010-3

zbMATH Keywords

comparison Hartree-Fock equation electron states chemical compound quantum-statistical calculation

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Nonlinear boundary value problems for ordinary differential equations (34B15) Statistical mechanics of plasmas (82D10) Numerical solution of boundary value problems involving ordinary differential equations (65L10) Chemical kinetics in thermodynamics and heat transfer (80A30)

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