TY - JOUR
T1 - Stabilization methods for quantum mechanical resonance states of four-body systems
AU - Volobuev, Yuri L.
AU - Truhlar, Donald G
N1 - Funding Information:
This work was supported in part by the National Science Foundation under grant no. CHE97-25965.
PY - 2000/6/9
Y1 - 2000/6/9
N2 - We describe the methods used in a computer code for quantum mechanical calculations of bound and resonance states of four-body systems. Three stabilization techniques for identifying the resonances and estimating resonance widths are discussed: calculation of coordinate-space moments, application of an imaginary optical potential, and analytic continuation of a real discrete spectrum using rational polynomial interpolation. Computational implementation of these methods, recent improvements to the computer code, and parallelization strategies are described in detail.
AB - We describe the methods used in a computer code for quantum mechanical calculations of bound and resonance states of four-body systems. Three stabilization techniques for identifying the resonances and estimating resonance widths are discussed: calculation of coordinate-space moments, application of an imaginary optical potential, and analytic continuation of a real discrete spectrum using rational polynomial interpolation. Computational implementation of these methods, recent improvements to the computer code, and parallelization strategies are described in detail.
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U2 - 10.1016/S0010-4655(00)00060-6
DO - 10.1016/S0010-4655(00)00060-6
M3 - Article
AN - SCOPUS:0034625270
VL - 128
SP - 516
EP - 526
JO - Computer Physics Communications
JF - Computer Physics Communications
SN - 0010-4655
IS - 1
ER -