Adiabatic Hyperspherical Study of One-dimensional Hydrogen Molecule

ORAL

Abstract

We present a calculation of the adiabatic hyperspherical potentials for one-dimensional H$_2$. Although the adiabatic hyperspherical representation has proven very useful in understanding atomic systems, especially highly correlated states like doubly excited states, it has not yet been applied to the electronic and nuclear degrees of freedom for a molecule more complicated than H$_2^+$. We thus present the first such calculation, albeit for a one-dimensional model of H$_2$. Our model, however, is chosen to exactly reproduce the three-dimensional H$_2$ and H$_2^+$ ground Born-Oppenheimer potentials. One of our goals is to identify and understand the role of doubly excited states --- which can be readily identified in the adiabatic hyperspherical representation, unlike standard quantum chemistry. We illustrate the method with an application to attosecond physics. We also want to take advantage of the fact that the adiabatic hyperspherical representation produces well defined and discrete effective potentials for all ionization channels to help understand processes like strong-field dissociative ionization. These topics, and others, will be discussed.

Authors

  • Youliang Yu

    J. R. Macdonald Laboratory, Kansas State University, Manhattan, Kansas, 66506

  • Yujun Wang

    Joint Quantum Institute (present Kansas State U), J. R. Macdonald Laboratory, Kansas State University, Manhattan, Kansas, 66506, J. R. Macdonald Laboratory, Department of Physics, Kansas State University, Kansas State University, Joint Quantum Institute, University of Maryland and NIST

  • Brett D. Esry

    Kansas State University, J. R. Macdonald Laboratory, Kansas State University, Manhattan, Kansas, 66506, J. R. Macdonald Laboratory, Department of Physics, Kansas State University, J. R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, KS, USA, J. R. Macdonald Laboratory, Physics Dept., Kansas State University, Manhattan, KS, USA, Department of Physics, Kansas State University