About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
Journal of Physics B: Atomic and Molecular Physics
Paper
Variational R-matrix calculations of e-+H2 scattering using numerical asymptotic basis functions
Abstract
Variational R-matrix calculations of elastic electron scattering from the ground state of H2 are reported for the 2 Sigma u+ resonant scattering state at R=1.402a0. The orbital basis set includes exponential functions centred on each nucleus, spherical Bessel functions and numerical functions obtained by integrating asymptotic coupled differential equations. Polarisation response is treated in terms of polarisation pseudo-states.