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Accurate upper and lower bounds to the 2 S states of the lithium atom
Author(s) -
Lüchow A.,
Kleindienst H.
Publication year - 1994
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.560510405
Subject(s) - lithium (medication) , lithium atom , atom (system on chip) , atomic physics , physics , isotopes of lithium , ion , chemistry , quantum mechanics , ionization , computer science , embedded system , ion exchange , medicine , endocrinology
The first nonrelativistic lower bound to the ground state of the lithium atom is give with E 0 > −7.47816 au using the method of variance minimization and an extension of Temple's formula. With large Hylleraas–CI basis sets, high‐precision upper bounds and isotope shifts are calculated for the three lowest 2 S states of the lithium atom, which are best to date. © 1994 John Wiley & Sons, Inc.