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Ritz variational method for the high‐lying nonautoionizing doubly excited 1,3 F e states of two‐electron atoms
Author(s) -
Dutta Sayantan,
Sil Amar N.,
Saha Jayanta K.,
Mukherjee Tapan K.
Publication year - 2018
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25577
Subject(s) - excited state , eigenvalues and eigenvectors , atomic physics , variational method , electron , quantum number , physics , basis (linear algebra) , basis set , quantum mechanics , molecule , mathematics , geometry
Energy eigenvalues of nonautoionizing doubly excited1 , 3F estates originating from 2pnf ( n = 4 − 20 ) configuration of two‐electron atoms Z = 3 − 18 have been calculated by expanding the basis set in explicitly correlated Hylleraas coordinates under the framework of Ritz variational method. A detailed discussion on the evaluation of correlated basis integrals is given. The energy eigenvalues of a number of these doubly excited states are being reported for the first time especially for the high lying states. The effective quantum numbers ( n ∗ ) for the states mentioned above have been calculated by using the theory of quantum defect.