Ab initio determination of polarizabilities and van der Waals coefficients of Li atoms using the relativistic coupled-cluster method
作者： L. W. Wansbeek , B. K. Sahoo , R. G. E. Timmermans , B. P. Das , D. Mukherjee
DOI: 10.1103/PHYSREVA.78.012515
关键词:
摘要: We report on a technique to determine the van der Waals coefficients of lithium (Li) atoms based relativistic coupled-cluster theory. These quantities are determined using imaginary parts scalar dipole and quadrupole polarizabilities, which evaluated an approach that we have proposed earlier [B. K. Sahoo, Chem. Phys. Lett. 448, 144 (2007)]. Our procedure is fully ab initio, avoids sum-over-the-states approach. present polarizabilities many low-lying excited states Li. Also, off-diagonal polarizabilites between some Li been calculated.
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