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An accurate lower‐bound calculation of the lowest triplet states of he and its isoelectronic series
Author(s) -
Kleindienst H.,
De Groot U.
Publication year - 1992
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.560440105
Subject(s) - series (stratigraphy) , logarithm , chemistry , wave function , bound state , spectrum (functional analysis) , minification , atomic physics , computational chemistry , quantum mechanics , physics , mathematics , mathematical analysis , paleontology , mathematical optimization , biology
Accurate lower bounds for the nonrelativistic lowest triplet states of 4 He and ∞ He and the He isoelectronic series up to Z = 10 were calculated by the method of variance minimization using wave functions with logarithmic terms. Furthermore, the method of Lehmann/Goerisch was extended to self‐adjoint operators with an essential spectrum. Both methods were compared for 4 He. © 1992 John Wiley & Sons, Inc.