TY - JOUR
T1 - New method for estimating widths of scattering resonances from real stabilization graphs
AU - Thompson, Todd C.
AU - Truhlar, Donald G.
PY - 1982/10/8
Y1 - 1982/10/8
N2 - We present the method for estimating resonances widths, and positions, from graphs of stabilized energy eigenvalues as functions of a real variational parameter. The method requires no information about eigenvalues or eigenvectors of non-resonant roots or about the eigenvector of the resonant root. We apply the method successfuly to four resonances in collinear reactive scattering. We also apply Simons' new method that uses one resonant eigenvalue and one non-resonant eigenvalue, and we compare the predictions of the two stabilization-graph methods to results obtained from accurate quantal calculations for these test cases.
AB - We present the method for estimating resonances widths, and positions, from graphs of stabilized energy eigenvalues as functions of a real variational parameter. The method requires no information about eigenvalues or eigenvectors of non-resonant roots or about the eigenvector of the resonant root. We apply the method successfuly to four resonances in collinear reactive scattering. We also apply Simons' new method that uses one resonant eigenvalue and one non-resonant eigenvalue, and we compare the predictions of the two stabilization-graph methods to results obtained from accurate quantal calculations for these test cases.
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U2 - 10.1016/0009-2614(82)83415-5
DO - 10.1016/0009-2614(82)83415-5
M3 - Article
AN - SCOPUS:0007080488
SN - 0009-2614
VL - 92
SP - 71
EP - 75
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1
ER -