ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Accurate lower and upper bounds for the nonrelativistic ground state energies E0 of the real systems 4He, H-, D-, and T- were calculated by the method of variance minimization using wave functions which include logarithmic terms. In addition, an analogous treatment with an infinite mass approximation for H-, He, and the isoelectronic series up to Z = 10 was carried out. Especially for H- and He the results (a.u.) are given by \documentclass{article}\pagestyle{empty}\begin{document}$$ \begin{array}{*{20}c} { - 0.52775101712297_4 〈 E_0 (H^ -) 〈 - 0.52775101654373_9 } \\ { - 2.90372437703413_4 〈 E_0 (He) 〈 - 2.90372437703411_9 .} \\ \end{array} $$\end{document} These values have an absolute error smaller than 1.28 · 10-4 cm-1 for H-1and 3.10 · 10-9 cm-1 for He. Moreover it is shown that a variation of nuclear mass mn for the H- species does not produce a second discrete eigenvalue.
Additional Material:
5 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560370306
