Application of the atomic configuration probability to the equilibrium calculation

DOI10.1007/BF00643586MaRDI QIDQ1359117zbMATH OpenOpenAlexFDO

Authors O. Diekmann, G. Q. Luo

Publication date 28 July 1997

Published in Astrophysics and Space Science (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/bf00643586

zbMATH Keywords

equilibrium calculationgrand canonical approach

Mathematics Subject Classification ID

Other physical applications of random processes (60K40) Atomic physics (81V45) Disordered systems (random Ising models, random Schrödinger operators, etc.) in equilibrium statistical mechanics (82B44)

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(2)

• Quantum-statistical calculation of the properties of a mixture of chemical elements allowing for fluctuations in the occupation numbers of electron states
• Use of the bond-projected superposition principle in determining the conditional probabilities of orbital events in molecular fragments

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