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Long-range dispersion interactions involving excited atoms; The H(1s)-H(2s) interaction (1973)

Deal, Walter J. ; Young, Ralph H.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 7 (1973), S. 877-892

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The dispersion interaction between two nonoverlapping atoms (or molecules) is expressed in terms of single-atom “polarizabilities.” The formulation is valid even if one atom (or both) is in an excited state. To illustrate the procedure, the dispersion interaction between a 1s and a 2s hydrogen atom is computed accurately through order R-10 (R = internuclear separation).

Additional Material: 3 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560070505

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