Title of article :
Basis set limit value for the static dipole polarizability of beryllium
Author/Authors :
Tunega، نويسنده , , Daniel and Noga، نويسنده , , Jozef and Klopper، نويسنده , , Wim، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1997
Pages :
6
From page :
435
To page :
440
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.
Journal title :
Chemical Physics Letters
Serial Year :
1997
Journal title :
Chemical Physics Letters
Record number :
1780599
Link To Document :
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