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• W2079596394 abstract "An iterative method for calculating resonance positions and widths is developed. The system Hamiltonian with an asymptotic complex absorbing potential is represented by a large and sparse matrix. A small set of ‘‘good’’ basis functions suitable for diagonalizing the Hamiltonian matrix in a given energy window is generated by acting with a polynomial expansion of the imaginary part of the system Green’s function onto a generic initial wave packet. As an application to a realistic three-dimensional system, the calculation of 65 resonances of the nonrotating HCO molecule up to the energy 9000 cm−1 is presented. The method is shown to be rapidly convergent and accurate, especially for narrow resonances." @default.
• W2079596394 created "2016-06-24" @default.
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• W2079596394 date "1995-11-08" @default.
• W2079596394 modified "2023-10-03" @default.
• W2079596394 title "Recursion polynomial expansion of the Green’s function with absorbing boundary conditions: Calculations of resonances of HCO by filter diagonalization" @default.
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• W2079596394 doi "https://doi.org/10.1063/1.470217" @default.
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