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Volumn 111, Issue 22, 1999, Pages 10034-10045

Theory and ab initio calculations of 2p photoabsorption spectra: The lowest Rydberg resonances in HCl

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EID: 0001410967     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480339     Document Type: Article
Times cited : (22)

References (49)
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    • H. Ågren, V. Carravetta, O. Vahtras, and L. G. M. Pettersson, Theor. Chem. Acc. 97, 14 (1997); Chem. Phys. Lett. 222, 75 (1994).
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    • 0001333263 scopus 로고
    • G. S. Brown, M. H. Chen, B. Crasemann, and G. E. Ice, Phys. Rev. Lett. 45, 1937 (1980); G. B. Armen, T. Åberg, J. C. Levin, B. Crasemann, M. H. Chen, G. E. Ice, and G. S. Brown, ibid. 54, 1142 (1985).
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 1937
    • Brown, G.S.1    Chen, M.H.2    Crasemann, B.3    Ice, G.E.4
  • 39
    • 85034120275 scopus 로고    scopus 로고
    • note
    • The exponents of this intermediate basis are chosen as an even tempered series of s and p functions that fill the gap between the flattest atomic basis function and the steepest Rydberg basis function logarithmically equidistant with a factor of about two.
  • 45
    • 0009104198 scopus 로고
    • F. Hund, Z. Phys. 33, 345 (1925); ibid. 33, 855 (1925).
    • (1925) Z. Phys. , vol.33 , pp. 345
    • Hund, F.1
  • 46
    • 0043288174 scopus 로고
    • F. Hund, Z. Phys. 33, 345 (1925); ibid. 33, 855 (1925).
    • (1925) Z. Phys. , vol.33 , pp. 855
  • 47
    • 85034149169 scopus 로고    scopus 로고
    • note
    • mf they are (1/2)γ for states with a hole in the 2pπ (1π) orbital and - π for states with a hole in the 2pσ (3σ) orbital.


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