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Level‐dependent new tamm‐dancoff calculations
Author(s) -
Henkel J. H.,
Uzes C. A.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560080810
Subject(s) - recursion (computer science) , anharmonicity , convergence (economics) , excitation , transformation (genetics) , mathematics , degree (music) , physics , mathematical analysis , quantum mechanics , chemistry , algorithm , biochemistry , acoustics , economics , gene , economic growth
Excitation energies using the level‐dependent new Tamm‐Dancoff method are calculated for four one‐dimensional symmetric anharmonic oscillators. Convergence of the calculated excitations is demonstrated numerically and compared with the excitations obtained by integrating Schrödinger's equation numerically. The treatment is developed to illustrate how expansions other than level‐dependent Wick expansions may be used to transform the T ‐recursion system into the π‐recursion system. Specifically, numerical results for adjacent energy level differences for the sixth‐degree oscillator are obtained using numerical solutions of the fourth‐degree oscillator to construct the transformation that carries the T ‐recursion system into a π‐recursion system.