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Matrix elements for anharmonic potentials: Application to I 2 morse oscillator
Author(s) -
Delgadobarrio G.,
Cortina A. M.,
Varadé A.,
Mareca P.,
Villarreal P.,
Miretartés S.
Publication year - 1986
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540070214
Subject(s) - anharmonicity , morse code , morse potential , matrix (chemical analysis) , work (physics) , matrix method , harmonic oscillator , mathematics , physics , quantum mechanics , computer science , chemistry , optics , telecommunications , chromatography
Many authors have contributed expressions for obtaining analytical matrix elements for Morse oscillators. In this work, we discuss the advantages of using these expressions. At the same time, we propose a full numerical method to calculate these matrix elements and we compare, for the I 2 system, the different results given by Gallas, Vasan, and Cross, and the variational method.