Coordinate ordering in the discrete vari
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James R. Henderson; C. Ruth Le Sueur; Steven G. Pavett; Jonathan Tennyson
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Article
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1993
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Elsevier Science
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English
โ 506 KB
The problem of what order to treat the coordinates in the scheme of successive diagonalisations and truncations commonly used in multidimensional discrete variable representation (DVR) calculations is analysed. Test calculations in 4 different coordinate orderings are performed for the vibrational b