Abstract
The structure and harmonic vibrational frequencies of Be4 have been predicted using ab initio molecular electronic structure theory. A better than double zeta plus polarization (DZ+P) basis set was used in conjunction with self-consistent-field (SCF) and configuration interaction (CI) methods. The predicted frequencies (SCF followed by CI in parentheses) are a1 651 (680), t2 576 (589), and e 489 (487) cm-1, respectively.
Full Text
Submitted Version (
Free)
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call