Wavelet transform of quantum chemical states
Jun Song, Hong-Yi Fan, Hong‐Chun Yuan · International Journal of Quantum Chemistry · 2011
Abstract 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