A coupled-cluster approach to polarizabilities: Computational aspects

نویسندگان

  • Bijaya Kumar Sahoo
  • Bhanu Pratap Das
  • Rajat K. Chaudhuri
  • Debashis Mukherjee
چکیده

We present ab initio calculations of both the dipole and quadrupole polarizabilities within the framework of the relativistic coupled-cluster theory. We directly solve the first order perturbed equation arising from a general one-electron perturbation, thereby avoiding an explicit summation over intermediate states. This method can be applied to a wide range of problems including the high precision calculations of very small but finite parity non-conserving and CP violating amplitudes. We discuss in detail the computational methods used in the calculations and investigate the trends of electron correlation effects for the dipole and quadrupole polarizabilities.

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عنوان ژورنال:
  • J. Comput. Meth. in Science and Engineering

دوره 7  شماره 

صفحات  -

تاریخ انتشار 2007