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Linearkombination Hermite 'scher Orthogonalfunktionen, ein Verfahren zur Behandlung eindimensionaler Molekel‐Modelle der Quanten‐Chemie. 1. Mitteilung
Author(s) -
Heilbronner E.,
Günthard Hs. H.,
Gerdil R.
Publication year - 1956
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19560390421
Subject(s) - hermite polynomials , chemistry , mathematical physics , mathematical analysis , mathematics
If a particle moves in a one‐dimensional field V(x) given as a polynomial of even order (V (x) = v 0 + v 1 x + v 2 x 2 + v k z k ; k even) and if the corresponding wave‐function ψ(x) is approximated by a linear combination Φ(x) of hermitean orthogonal functionsthen it can be shown that the matrix elements of the secular determi‐ nant can be easily calculated in closed form as functions of n without involving further approximations.

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