Article ID Journal Published Year Pages File Type
5389955 Chemical Physics Letters 2006 6 Pages PDF
Abstract
The stability of the ground state of BeHe2+ has been investigated using the UCCSD(T) and IC-MRCI methods, in conjunction with augmented quadruple-zeta core-valence correlation basis sets. An analytical potential energy surface of the ground state of BeHe2+ was also constructed using a discrete grid of IC-MRCI energies.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Ab initio properties and potential energy surface of the ground electronic state of BeHe2+
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