bokomslag A General Quantum Mechanical Method to Predict Positron Spectroscopy
Psykologi & pedagogik

A General Quantum Mechanical Method to Predict Positron Spectroscopy

Paul E Adamson

Pocket

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  • 210 sidor
  • 2012
The NEO method was modified and extended to positron systems. NEO-MP2 energies and annihilation rates were calculated for PsH, and the effects of basis set size on correlation energies captured with the NEO-MP2 and NEO-FCI methods are compared and discussed. Equilibrium geometries and vibrational energy levels were computed for the LiX and e+LiX (X = H, F, Cl) systems at the MP2 and NEO-MP2 levels. It was found that anharmonicity plays a significant role, specifically in the differences between the vibrational energy levels of the LiX and e+LiX systems. The implications of these results with respect to VFR for these systems is discussed.
  • Författare: Paul E Adamson
  • Format: Pocket/Paperback
  • ISBN: 9781249590958
  • Språk: Engelska
  • Antal sidor: 210
  • Utgivningsdatum: 2012-10-09
  • Förlag: Biblioscholar