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Bounds to atomic properties: Electric polarizabilities of lithium isoelectronic sequence ions
Author(s) -
Muszyńska J.,
Papierowska D.,
Pipin J.,
Woźnicki W.
Publication year - 1982
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.560220603
Subject(s) - polarizability , sequence (biology) , lithium (medication) , superposition principle , ion , wave function , chemistry , atomic physics , electron , computational chemistry , physics , quantum mechanics , molecule , medicine , biochemistry , organic chemistry , endocrinology
Using the optimal wave functions obtained by means of the superposition of correlated configurations method, elaborated previously, static and dynamic polarizabilities and rigorous lower bounds to them have been calculated for the ground states of three‐electron atoms in the lithium isoelectronic sequence (Li I –C IV ). The results can be treated with considerable confidence, especially for higher members of the sequence. Furthermore, the calculated rigorous lower bounds for static polarizabilities enable us to rule out several theoretical and experimental values obtained previously. The results obtained by us are then employed to evaluate the leading unknown terms in the Z −1 ‐type expansion for the polarizability, extending thereby our treatment to much higher members of the isoelectronic sequence.