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Wavelet transform of quantum chemical states
Author(s) -
Song Jun,
Fan HongYi,
Yuan HongChun
Publication year - 2011
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.22618
Subject(s) - wavelet transform , wavelet , mathematics , spectrum (functional analysis) , statistical physics , physics , quantum mechanics , computer science , artificial intelligence
By using the technique of integral within an ordered product of operators, we recast classical wavelet transform to a matrix element of the squeezing‐displacing operator U (μ, s ) between the mother wavelet vector 〈ψ| and the state vector | f 〉 to be transformed, i.e., we propose that 〈ψ| U (μ, s )| f 〉 can be considered as a new kind of spectrum for analyzing the quantum state | f 〉. In this way, we propose the wavelet‐ transform spectrum for quantum chemical states. As an example, we carry out the numerical calculation of wavelet‐transform spectrum for the binomial state. It seems to us that this kind of spectrum can be used to recognize a variety of quantum chemical states. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012