Author/Authors :
Tunega، نويسنده , , Daniel and Noga، نويسنده , , Jozef and Klopper، نويسنده , , Wim، نويسنده ,
Abstract :
The static dipole polarizability (α) and the second dipole hyperpolarizability (γ) for the ground state of the beryllium atom are calculated using the recently developed explicitly correlated (electronic cusp corrected) coupled cluster method (CC-R12) and high quality basis sets of Gaussian atomic functions. The CC-R12 convergence with increasing size of the basis set of the polarizability towards the limiting value is significantly faster than for the conventional coupled cluster approach. The predicted values are α = 37.73 ± 0.05 au and γ = 32.0 ± 1.0 × 103 au.