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Accurate spectral approach for the calculation of doubly excited 1P0 states of Li+
被引:6
|作者:
Albert, Marc-Andre
[1
]
Laulan, Stephane
[1
]
Barmaki, Samira
[1
]
机构:
[1] Univ Moncton, Lab Phys Computat & Photon, Campus Shippagan,218 Blvd JD Gauthier, Shippegan, NB E8S 1P6, Canada
基金:
加拿大自然科学与工程研究理事会;
关键词:
Time-independent Schrodinger equation;
Complex rotation method;
Two-electron system;
Doubly excited states;
Electron correlation;
2-ELECTRON ATOMS;
ENERGY-LEVELS;
HE;
RESONANCES;
CLASSIFICATION;
THRESHOLDS;
PARAMETERS;
SYSTEMS;
WIDTHS;
N=2;
D O I:
10.1016/j.radphyschem.2018.05.021
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 report in this paper computed resonant parameters for the lowest singlet doubly excited P-1(0) states of the Li+ ion lying below the N = 2 and N = 3 hydrogenic thresholds. In our previous works (see Barmaki et al., 2014 and references therein), the calculation of the energy spectrum of a two-electron system was performed with a spectral method of configuration-interaction type that consists in expanding the radial part of the two-electron wave function on antisymmetrized products of B-spline functions. We combine in this paper the expansion of the wave function on B-spline functions with the complex rotation method in order to have access to the spectral data of the P-1(0) resonances embedded between the Li2+(Nl) thresholds. The present approach has the advantage to generate the energy positions and the widths of the resonances in a single calculation. The obtained results are in very good agreement with other available experimental and theoretical data.
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页码:65 / 68
页数:4
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