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http://hdl.handle.net/2248/3794
Title: | Ab initio determination of polarizabilities and van der Waals coefficients of Li atoms using the relativistic coupled-cluster method |
Authors: | Wansbeek, L. W Sahoo, B. K Timmermans, R. G. E Das, B. P Mukherjee, D |
Keywords: | Van Der Waals Coefficients Of Lithium Relativistic Coupled-Cluster Theory Scalar Dipole Quadrupole Polarizabilities Off-Diagonal Dipole |
Issue Date: | Jul-2008 |
Publisher: | The American Physical Society |
Citation: | Physical Review A, Vol. 78, No. 1, pp. 012515 |
Abstract: | We report on a technique to determine the van der Waals coefficients of lithium (Li) atoms based on relativistic coupled-cluster theory. These quantities are determined using the imaginary parts of the scalar dipole and quadrupole polarizabilities, which are evaluated using an approach that we have proposed earlier [B. K. Sahoo, Chem. Phys. Lett. 448, 144 (2007)]. Our procedure is fully ab initio, and avoids the sum-over-the-states approach. We present the dipole and quadrupole polarizabilities of many of the low-lying excited states of Li. Also, the off-diagonal dipole and quadrupole polarizabilites between some of the low-lying states of Li have been calculated. |
URI: | http://hdl.handle.net/2248/3794 |
ISSN: | 1050-2947 |
Appears in Collections: | IIAP Publications |
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File | Description | Size | Format | |
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Ab initio determination of polarizabilities and van der | 197.98 kB | Adobe PDF | View/Open |
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