Determination of electronic resonances by analytic continuation using barycentric formula

被引:0
|
作者
Curik, Roman [1 ]
Horacek, Jiri [2 ]
机构
[1] ASCR, J Heyrovsky Inst Phys Chem, Dolejskova 3, Prague 18223, Czech Republic
[2] Charles Univ Prague, Inst Theoret Phys, Fac Math & Phys, V Holesovickach 2, CR-18000 Prague, Czech Republic
关键词
Electron resonance; Analytic continuation; Interpolation; COUPLING-CONSTANT METHOD; SHAPE RESONANCE; ENERGIES; ALGORITHM; APPROXIMATION; STABILIZATION; INTERPOLATION; SCATTERING; LIFETIMES; WIDTHS;
D O I
10.1016/j.cpc.2024.109379
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Numerical analytical continuation of a function is used to determine its complex roots. The analytical continuation is carried out by means of a barycentric formula. From the knowledge of the complex roots the energy and width of shape resonances as well as of quantum virtual states can be determined. The roots are calculated for several realistic models and the results are compared with other approaches. We also explore and discuss a stability of the predicted resonant roots with respect to changes of the perturbation potential.
引用
收藏
页数:9
相关论文
共 28 条
  • [1] Stabilizing potentials in bound state analytic continuation methods for electronic resonances in polyatomic molecules
    White, Alec F.
    Head-Gordon, Martin
    McCurdy, C. William
    JOURNAL OF CHEMICAL PHYSICS, 2017, 146 (04):
  • [2] Analytic continuation in the coupling constant for resonances in Be
    Zhang, Hantao
    Bai, Dong
    Ren, Zhongzhou
    CHINESE PHYSICS C, 2025, 49 (01)
  • [3] On the calculation of resonances by analytic continuation of eigenvalues from the stabilization graph
    Haritan, Idan
    Moiseyev, Nimrod
    JOURNAL OF CHEMICAL PHYSICS, 2017, 147 (01):
  • [4] Analytic continuation of the change of variable formula for smooth measures
    O. G. Smolyanov
    H. von Weizsaecker
    O. Wittich
    Doklady Mathematics, 2008, 77 : 265 - 268
  • [5] Exponential asymptotics of woodpile chain nanoptera using numerical analytic continuation
    Deng, Guo
    Lustri, Christopher J.
    STUDIES IN APPLIED MATHEMATICS, 2023, 150 (02) : 520 - 557
  • [6] Resonances and pseudoresonances in a potential with attractive coulomb tail:: A study using analytic-continuation techniques
    Müller, IB
    Santra, R
    Cederbaum, LS
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2003, 94 (02) : 75 - 92
  • [7] Shape resonances of Be- and Mg- investigated with the method of analytic continuation
    Curik, Roman
    Paidarova, I.
    Horacek, J.
    PHYSICAL REVIEW A, 2018, 97 (05)
  • [8] Barycentric rational function approximation made simple: A fast analytic continuation method for Matsubara Green's functions
    Huang, Li
    Yue, Changming
    PHYSICAL REVIEW B, 2025, 111 (12)
  • [9] FROM FEYNMAN-KAC FORMULA TO FEYNMAN-INTEGRALS VIA ANALYTIC CONTINUATION
    YAN, JA
    STOCHASTIC PROCESSES AND THEIR APPLICATIONS, 1994, 54 (02) : 215 - 232
  • [10] Determination of Asymptotic Normalization Coefficients by Analytic Continuation of the R-Matrix
    Blokhintsev, L. D.
    Savin, D. A.
    PHYSICS OF ATOMIC NUCLEI, 2024, 87 (03) : 352 - 358