A General Quantum Mechanical Method to Predict Positron Spectroscopy
Paul E Adamson
A General Quantum Mechanical Method to Predict Positron Spectroscopy
Paul E Adamson
This title is printed to order. This book may have been self-published. If so, we cannot guarantee the quality of the content. In the main most books will have gone through the editing process however some may not. We therefore suggest that you be aware of this before ordering this book. If in doubt check either the author or publisher’s details as we are unable to accept any returns unless they are faulty. Please contact us if you have any questions.
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.
This item is not currently in-stock. It can be ordered online and is expected to ship in 7-14 days
Our stock data is updated periodically, and availability may change throughout the day for in-demand items. Please call the relevant shop for the most current stock information. Prices are subject to change without notice.
Sign in or become a Readings Member to add this title to a wishlist.