• Ch V Rama Rao

      Articles written in Journal of Chemical Sciences

    • Dynamics of bond-formation in some bound states of HeH+

      Ch V Rama Rao Asish K Chandra

      More Details Abstract Fulltext PDF

      The role of the electronic kinetic energy and its Cartesian components is examined during the formation of the ground (1Σ), the first excited (1Σ)* and the lowest (3Σ) states of HeH+ employing wavefunctions of the multi-configuration type with, basis orbitals in elliptic coordinates. Results show, contrary to earlier beliefs, that the bond formation in these states is preceded primarily by a charge transfer from the neutral atom to the ion. There is no evidence of polarisation of the neutral atom orbitals by the ion even at large internuclear separation.

  • Journal of Chemical Sciences | News

© 2021-2022 Indian Academy of Sciences, Bengaluru.