A local understanding of the quantum chemical geometric phase theorem in terms of diabatic states

Journal of Chemical Physics

Volumn 110, Issue 9, 1999, Pages 4208-4212

  Atchity, Gregory J ^a   Ruedenberg, Klaus ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0347804970     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478302     Document Type: Article

References (26)

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3. G. Herzberg and H. C. Longuet-Higgins, Discuss. Faraday Soc. 35, 77 (1963); see also M. V. Berry, Proc. R. Soc. London, Ser. A 344, 147 (1975); C. A. Mead, J. Chem. Phys. 70, 2276 (1979); C. A. Mead and D. G. Truhlar, ibid. 70, 2284 (1979).
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15. R. S. Mulliken, J. Am. Chem. Soc. 64, 811 (1952); R. S. Mulliken and W. B. Person, Molecular Complexes (Wiley, New York, 1969); N. S. Hush, Prog. Inorg. Chem. 8, 391 (1967); N. S. Hush, Electrochim. Acta 13, 1005 (1968).
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20. We follow the formulations in the presentation of G. J. Atchity, S. S. Xantheas, and K. Ruedenberg, J. Chem. Phys. 95, 1862 (1991), which also contains the references to the classical earlier work.
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25. Similar coordinates were used in Ref. 7.
26. J. Ivanic, G. J. Atchity, and K. Ruedenberg, J. Chem. Phys. 107, 4307 (1997).