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Více informací o knize General Quantum Mechanical Method to Predict Positron Spectroscopy

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• Anotace
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Anotace knihy

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.

Parametry knihy

Zařazení knihy Knihy v angličtině Society & social sciences Education

• Plný název: General Quantum Mechanical Method to Predict Positron Spectroscopy
• Autor: Paul E Adamson
• Jazyk: Angličtina
• Vazba: Brožovaná
• Počet stran: 210
• EAN: 9781249590958
• ISBN: 9781249590958
• ID: 08142161
• Nakladatelství: Biblioscholar
• Hmotnost: 386 g
• Rozměry: 246 × 189 × 11 mm
• Datum vydání: 09. October 2012

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