On the Basic Equation for the Equilibrium Electronic States in Polar Solvents-Broken Symmetry-
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概要
- 論文の詳細を見る
The basic equation to determine the equilibrium electronic structure y of thesolute system (the solvated electron or the solute molecule or the solute molecularcomplex) in polar solvent is proposed in the form of variational equation l>(F.(y)r/)=0 which states that the free energy of the total system F.(y) consisting of thesolute system and the solvent is minimum for an arbitrary variation of y inaccordance with the normalization condition /=<FIP>-l=0; here x denotesa Lagrange undetermined multiplier. The nonlinear wave equations derived fromthe basic equation for the dimeric molecules or their radicals yield the brokensymmetry solutions (self-trapping states). The simple description of the solvatedelectron is presented as another example of the application of the basic equation.
- 社団法人日本物理学会の論文
- 1978-02-15
著者
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YOMOSA Sigeo
Department of Physics, Nagoya University
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Yomosa Sigeo
Department Of Physics Faculty Of Science Nagoya University
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Yomosa Sigeo
Department of Physics,Nagoya University
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