On the accuracy of the potential harmonic functions |
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| Authors: | WANG Yi-Xuan LI Lin-Wei BIAN Wen-Sheng
LIU Cheng-Bu Deng Cong-Hao
Institute of Theoretical Chemistry Shandong University Jinan Shandong China |
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| Institution: | WANG,Yi-Xuan LI,Lin-Wei BIAN,Wen-Sheng
LIU,Cheng-Bu Deng,Cong-Hao
Institute of Theoretical Chemistry,Shandong University,Jinan,Shandong 250100,China Department of Chemistry,Liaocheng Teachers University,Liaocheng,Shandong 252059,China |
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| Abstract: | The matrix elements of the correlation function between symmetric potential harmonics are simplified into the analytical summations of the grand angular momenta by smartly using the recurrence and coupling relations of the potential harmonics. The correlation-function potential-harmonic and generalized-Laguerre-function method (CFPHGLF) , recently developed by us, is applied to the S states of the helium-like systems for Z = 2 to 9. The results exhibit good convergence with the bases in terms of both the angular and radial directions. The final eigen-energies agree excellently with the best s-limits of the variational configuration interaction (CI) method for the involved low-lying S states. The accuracy of the potential harmonic (PH) expansion scheme is discussed relative to the exact Hylleraas CI results (HCI), and Hartree-Fock results. Moreover, suggestion is given for the future improvement of the PH scheme. |
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| Keywords: | Potential hannonic function radial solution helium-like systems |
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