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Title: A coupled-cluster approach to polarizabilities: Computational aspects
Authors: Sahoo, B. K
Das, B. P
Chaudhuri, R. K
Mukherjee, D
Keywords: Ab initio Method;Polarizability
Issue Date: 2007
Publisher: IOS Press
Citation: Journal of Computational Methods in Science and Engineering, Vol. 7, No. 1, pp. 57 - 74
Abstract: 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.
ISSN: 1875-8983
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Appears in Collections:IIAP Publications

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