Self-Consistent Field Equations for H2 and H3

Ernest Bauer

Editore: Forgotten Books
Formato: PDF
Testo in en
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Compatibilità: Tutti i dispositivi (eccetto Kindle) Scopri di più
Dimensioni: 772,11 KB
  • EAN: 9780243811953
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It is of interest to know this interaction potential of three hydrogen atoms as precisely as possible, because it is in effect basic to all calculations of the cross-sections of processes involving the transfer of translational and vibrational energy normal chemical reactions); it is important also in understanding the transfer of translational and rotational energy, although this second aspect is not to be developed here. Accordingly, it seems that it would be worth while making a self consistent field calculation to find the ground-state energy for three electrons moving about three protons A, B, C, which are taken to be in a straight line. This is a major computational problem which would require a high-speed computing machine.