Interatomic Coulombic decay in ( n = 2–3) clusters using CAP/EOM-CCSD method.

The equation-of-motion coupled-cluster method along with the complex absorbing potential has been applied to study the interatomic Coulombic decay mechanism in hydrogen-bonded clusters. We have applied this method to calculate the lifetime of the F 2s inner-valence ionised state of(n= 2–3) clusters. The lifetime is found to be very short and decreases substantially with increasing the number of HF monomer. [ABSTRACT FROM AUTHOR]