Computational Chemistry and Molecular Modeling
Atomic, Molecular and Optical Physics
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
The first nonrelativistic lower bound to the ground state of the lithium atom is give with E0 〉 -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 2S states of the lithium atom, which are best to date. © 1994 John Wiley & Sons, Inc.
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