English

Configuration Interaction Study of the $^3{\rm P}$ Ground State of the Carbon Atom

Atomic Physics 2017-08-01 v1

Abstract

Configuration Interaction (CI) calculations on the ground state of the C atom are carried out using a small basis set of Slater orbitals [7s6p5d4f3g]. The configurations are selected according to their contribution to the total energy. One set of exponents is optimized for the whole expansion. Using some computational techniques to increase efficiency, our computer program is able to perform partially-parallelized runs of 1000 configuration term functions within a few minutes. With the optimized computer programme we were able to test a large number of configuration types and chose the most important ones. The energy of the 3P^3{\rm P} ground state of carbon atom with a wave function of angular momentum L=1 and ML_{\rm L}=0 and spin eigenfunction with S=1 and MS_{\rm S}=0 leads to -37.83526523 h, which is millihartree accurate. We discuss the state of the art in the determination of the ground state of the carbon atom and give an outlook about the complex spectra of this atom and its low-lying states.

Keywords

Cite

@article{arxiv.1707.09738,
  title  = {Configuration Interaction Study of the $^3{\rm P}$ Ground State of the Carbon Atom},
  author = {María Belén Ruiz and Robert Tröger},
  journal= {arXiv preprint arXiv:1707.09738},
  year   = {2017}
}

Comments

14 pages, 5 tables and 27 references