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Character of the pair interaction in solid and gaseous H2 (1974)

Danilowicz, R. ; Etters, R. ; England, W. ; [et al.]

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Publication Date: 2019-06-27

Description: Existing theoretical H2 pair potentials are investigated. We develop a spherically symmetric potential applicable to solid H2. It yields a ground-state energy of -98.7 K (experimental values range from -93.5 to -101 K). Pressure-volume data are also in excellent agreement with experiment between 0 and 25 kbar. Second virial coefficients using this potential are consistently too low. When an anisotropic pair potential is used, agreement becomes very good.

Keywords: PHYSICS, ATOMIC, MOLECULAR, AND NUCLEAR

Type: Physical Review Letters; 32; Apr. 8

Format: text

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