Calculation of the energy states in a general molecular potential model a new MSW approach

A new MSW approach for the calculation of the energy states in a general molecular potential model is discussed. A general theory is presented where the difficulties arising from the matching problem across the arbitrary boundaries are avoided. The secular equation to determine the energy spectrum o...

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Veröffentlicht in:International journal of quantum chemistry 1975-01, Vol.9 (S9), p.105-115
Hauptverfasser: Scheire, L., Phariseau, P.
Format: Artikel
Sprache:eng
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Zusammenfassung:A new MSW approach for the calculation of the energy states in a general molecular potential model is discussed. A general theory is presented where the difficulties arising from the matching problem across the arbitrary boundaries are avoided. The secular equation to determine the energy spectrum of the molecule or atomic cluster is obtained and the wave functions are calculated in all characteristic regions.
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.560090816