General Quantum Mechanical Method to Predict Positron Spectroscopy

Name: General Quantum Mechanical Method to Predict Positron Spectroscopy
Brand: Biblioscholar
SKU: 9781249590958
Price: 474 CZK
Availability: InStock

Autor: Paul E Adamson

Jazyk:

Vazba: Brožovaná

Vydavatel: Biblioscholar

Dostupnost: Skladem u dodavatele

Odesíláme za 9-15 dnů

474 Kč

The NEO method was modified and extended to positron systems. NEO-MP2 energies and annihilation rate...

Informace o knize

Autor

Paul E Adamson

Jazyk

Angličtina

Vazba

Kniha - Brožovaná

Vydáno

2012

Stránek

210

EAN

9781249590958

ISBN

9781249590958

Enbook ID

08142161

Vydavatel

Biblioscholar

Hmotnost

386

Rozměry

189 x 246 x 11

Kompletní popis

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.

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General Quantum Mechanical Method to Predict Positron Spectroscopy

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