Electronic properties of H2+ , H2, and LiH in high magnetic fields

International Journal of Quantum Chemistry

Volumn 64, Issue 5, 1997, Pages 561-570

  Runge, Keith ^a   Sabin, John R ^b  

^a UNIVERSITY OF FLORIDA   (United States)

^b FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001391964     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)64:5<561::AID-QUA7>3.0.CO;2-U     Document Type: Article

References (27)

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19. For details see Ref. 11.
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23. The s-orbital exponents and their contraction coefficients are [418.56108023, 0.0026559; 62.745732323, 0.0205875; 14.279648916, 0.1069490; 4.041829912, 0.4333780; 1.3163925229, 1.0000000; 0.47346270504, 1.0000000; 0.18280016580, 1.0000000; 0.07288443779, 1.0000000].
24. Polarization function exponents of 2.2920, 0.8380, and 0.2920 were obtained from the Alrichs group by anonymous FTP at tchibm3.chemie.uni-karlsruhe.de.
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26. c = e = 1.
27. 2, and 2eB for LiH, must be added to the energies presented here to obtain the usual reference state.