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We consider the problem of the choice of “free” particle interaction potential and the calculation of virial corrections for interatomic and ion–atom interaction in chemical models with dissociation reactions. We… Click to show full abstract
We consider the problem of the choice of “free” particle interaction potential and the calculation of virial corrections for interatomic and ion–atom interaction in chemical models with dissociation reactions. We perform a critical analysis of the potentials given in the available literature, propose simple formulas to calculate virial corrections with allowance for the limitations of the two-particle phase space, and present recommendations to apply these formulas.
Keywords:
atom interaction;
ion atom;
interatomic ion;
interaction
Journal Title: High Temperature
Year Published: 2019
Link to full text (if available)
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Journal Title: High Temperature
Year Published: 2019
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!