Electronic chemical potential as information temperature

被引:25
作者
Nalewajski, RF [1 ]
机构
[1] Jagiellonian Univ, Fac Chem, Dept Theoret Chem, PL-30060 Krakow, Poland
关键词
D O I
10.1080/00268970500276374
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A coupling between the energy and entropy deficiency descriptors of the electron distributions in molecular systems is examined for both the equilibrium ( ground-state) and non-equilibrium ( trial) electron distributions. The Lagrange multipliers of the constrained variational principles in both the energy and missing-information representations, related to the information 'temperature' parameters, are identified. It is demonstrated that the global information temperature, which characterizes the equilibrium electron distribution, is given by the system chemical potential. The non-equilibrium electron densities are shown to require the non-equalized information temperatures, measured by the local chemical potentials. An illustrative case of the hydrogen-like atom is examined in a more detail.
引用
收藏
页码:255 / 261
页数:7
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