Premium
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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom