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- W2068773801 abstract "The basic equation to determine the equilibrium electronic structure ψ of the solute system (the solvated electron or the solute molecule or the solute molecular complex) in polar solvent is proposed in the form of variational equation δ( F t (ψ)-κ f )=0 which states that the free energy of the total system F t (ψ) consisting of the solute system and the solvent is minimum for an arbitrary variation of ψ in accordance with the normalization condition f = -1=0; here κ denotes a Lagrange undetermined multiplier. The nonlinear wave equations derived from the basic equation for the dimeric molecules or their radicals yield the broken symmetry solutions (self-trapping states). The simple description of the solvated electron is presented as another example of the application of the basic equation." @default.
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- W2068773801 date "1978-02-01" @default.
- W2068773801 modified "2023-10-18" @default.
- W2068773801 title "On the Basic Equation for the Equilibrium Electronic States in Polar Solvents –Broken Symmetry–" @default.
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- W2068773801 doi "https://doi.org/10.1143/jpsj.44.602" @default.
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