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Theoretica chimica acta

, Volume 49, Issue 2, pp 123–130 | Cite as

Potential energy surfaces for BeH2 and BH2

  • Vladimir I. Osherov
  • Leonid V. Polujanov
Original Investigations

Abstract

The diatomics-in-molecules method has been used to obtain potential energy surfaces (PES) for the molecules BeH2 and BH2. The method is used in a way proposed by Tully [1]. The present paper contains an analysis of some features of PES in the vicinity of their crossing near linear configurations of the molecules.

Key words

BeH2 and BH2, potential energy surfaces of ∼ 

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References

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Copyright information

© Springer-Verlag 1978

Authors and Affiliations

  • Vladimir I. Osherov
    • 1
  • Leonid V. Polujanov
    • 1
  1. 1.Institute of Chemical Physics, Academy of SciencesChernogolovkaUSSR

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