PlumX Metrics
Embed PlumX Metrics

Relation between different variants of the generalized Douglas-Kroll transformation through sixth order

Journal of Chemical Physics, ISSN: 0021-9606, Vol: 120, Issue: 16, Page: 7307-7313
2004
  • 86
    Citations
  • 0
    Usage
  • 21
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

  • Citations
    86
    • Citation Indexes
      86
  • Captures
    21

Article Description

The Douglas-kroll (DK) transformation were extended to the sixth order using computer algebra algorithms to investigate the relations between different variants. It was observed that the differences between various choices for the generalized DK transformation are almost negligible when compared to the improvement obtained by including the next order. It was shown how at a given order, different variants of DK Hamiltonians are related and various choices of the generalized transformations were examined numerically for the ground states of the one-electron atom ions. The results show that fifth- and sixth-order DK results are insensitive to the parameterization for the unitary transformation steps involved in the DK procedure.

Provide Feedback

Have ideas for a new metric? Would you like to see something else here?Let us know