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Real and Complex Intersections Between Potential Energy Surfaces of the Same Symmetry in Polyatomic Systems by Thomas F. George; Keiji Moroxuma; Ying-Wei Lin is a Physics and Astronomy article available to read on EtoBox.

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different viewpoints of possible intersections between potential energy surfaces of the same symmetry for'polyatomic syitems zre considered nnd extended to the general franleworkof complex nuclcur coordinates. The results of ab '. initio calculations for complex nuclear coordinates yield a surface of 11-l complcs dimensions, where n is the number of nuciear degrees of freedom. This supports the traditional viewpoint that iuterscctions (real or complex) can exist between pbte&al energy surfaces of the same symmetry.. \* Ac~no~Ied~ernent~s mide to the National Science Found\* tion (Grants~GP~38815 a&d GP-33998X), the Aii ForceOf-dinates. In section 3 we extend the viewpoints to com-" fice of Scientific Research Kontract F44620-74C-0?73), .' plex nucle;!r &ordinates and compare. them wi"& num~,~ t.ha Research Corporation, qnd the, ponors of the Petroleum. erical examples, and in section 4 we present a critical Research Fund,'administered by the Ameriwn Chemical .. discussion 'ef the ,viewpoints in light of the results of ' Society, for partie support of this research. section 3.

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Author

Thomas F. George; Keiji Moroxuma; Ying-Wei Lin

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)

Published

1975

Language

EN

Field

Physics and Astronomy (Physical Sciences)