Accurate calculation of vibrational resonances by perturbation theory

被引：13
|
作者：
Fernández, FM [1 ]
Tipping, RH [1 ]
机构：
[1] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1999年 / 488卷
关键词：
quasi-bound states; anharmonic oscillators; perturbation theory; algebraic approximants;
D O I：
10.1016/S0166-1280(98)00622-8
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We construct rapidly convergent algebraic approximants from the perturbation series for anharmonic oscillators and obtain accurate resonance energies for the quartic oscillator with a negative coupling. The approximants take into account analytic properties of the eigenvalues. We compare our results with previous calculations performed by other authors. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：157 / 161
页数：5
相关论文
共 50 条
  • [1] ACCURATE CALCULATION OF VIBRATIONAL FORCE CONSTANT OF HYDROGEN MOLECULE BY VARIATION-PERTURBATION THEORY
    CHANG, SY
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (01): : 4 - &
  • [2] An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy
    Yang, Qin
    Bloino, Julien
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2022, 126 (49): : 9276 - 9302
  • [3] A perturbation theory of resonances
    Agmon, S
    [J]. COMMUNICATIONS ON PURE AND APPLIED MATHEMATICS, 1998, 51 (11-12) : 1255 - 1309
  • [4] Calculation of vibrational HDO energy levels: Analysis of perturbation theory series
    A. D. Bykov
    K. V. Kalinin
    A. N. Duchko
    [J]. Optics and Spectroscopy, 2013, 114 : 359 - 367
  • [5] Calculation of Vibrational HDO Energy Levels: Analysis of Perturbation Theory Series
    Bykov, A. D.
    Kalinin, K. V.
    Duchko, A. N.
    [J]. OPTICS AND SPECTROSCOPY, 2013, 114 (03) : 359 - 367
  • [6] VIBRATIONAL PERTURBATION THEORY
    MILLS, IM
    [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1960, 5 (04) : 334 - 340
  • [7] Perturbation theory of quantum resonances
    Philippe Durand
    Ivana Paidarová
    [J]. Theoretical Chemistry Accounts, 2016, 135
  • [8] Perturbation theory of quantum resonances
    Durand, Philippe
    Paidarova, Ivana
    [J]. THEORETICAL CHEMISTRY ACCOUNTS, 2016, 135 (07)
  • [9] A wave function correction-based approach to the identification of resonances for vibrational perturbation theory
    Boyer, Mark A.
    McCoy, Anne B.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2022, 157 (16):
  • [10] PERTURBATION THEORY FOR RESONANCES OF FESHBACH TYPE
    MANDL, F
    [J]. PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1967, 90 (570P): : 913 - &
12345