scholarly journals Many-body calculation of helium 1D–3D term intervals for 1snd (n = 12 ∼ 20) high Rydberg states

2006 ◽  
Vol 84 (12) ◽  
pp. 1097-1106
Author(s):  
Liming He ◽  
Wei Cao

With many-body perturbation theory, 1D–3D term intervals of helium 1snd (n = 12 ∼ 20) configurations are calculated. Based on two different models, Rayleigh-Schrodinger perturbation expansion terms consisting of bound states only, and those of continua are evaluated, respectively. As for bound states, zeroth-order wave functions are strictly generated from self-iteration solutions of the Hartree equation and residues of infinite expansion series are dealt with by the integral processing method, while a simplified hydrogen potential is adopted to get the continua. Using Rayleigh–Schrodinger expansions, we evaluate exchange energy up to third-order terms. It is found that level splittings are mainly attributed to summations over bound states. The fine-structure level splittings yielded here are found to agree quite well with experimental results.PACS Nos.: 31.15.Md, 32.10Fn, 02.60Ed

1981 ◽  
Vol 46 (6) ◽  
pp. 1324-1331 ◽  
Author(s):  
Petr Čársky ◽  
Ivan Hubač

Explicit formulas over orbitals are given for the correlation energy in triplet electronic states of atoms and molecules. The formulas were obtained by means of the diagrammatic many-body Rayleigh-Schrodinger perturbation theory through third order assuming a single determinant restricted Roothaan-Hartree-Fock wave function. A numerical example is presented for the NH molecule.


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