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Accurate values for the nonrelativistic energies of the lowest singlet and triplet S-states of the4He-Isotop
Authors:Heinz Kleindienst  Gerhard Pauli  Wolfgang Müller
Affiliation:1. Institut für Physikalische Chemie, Universit?t Düsseldorf, Universit?tsstr. 1, D-4000, Düsseldorf, Federal Republic of Germany
Abstract:Accurate lower and upper bounds for the nonrelativistic lowest energies1 E 0 and3 E 0 of the singlet and triplet-system of the4He-Isotop are calculated with the linearized method of variance minimization. The same was done for1 E 1 the energy of the first excitedS-state 21 S. The results especially for1 E 0 and3 E 0 in a.u. are −2.903307699751 E 0 ≤ −2.90330769218 −2.174932426373 E 0 ≤ −2.17493242459 i.e. the values are determined with an absolute error smaller than 0.00167 cm−1 for1 E 0 and 0.00039 cm−1 for3 E 0.
Keywords:Eigenvalue problems   nonrelativistic energies of the4He-Isotop   nuclear motion
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