The Hartley basis functions and transform: alternatives to plane waves and the Fourier transform

Journal Article

The Hartley "cas" basis functions are presented as alternatives to the well-known plane waves in electronic structure and molecular dynamics calculations. The cas functions are real, amenable to a fast transform, and thus offer the advantage of improved computational efficiency. The basis functions are tested in the calculation of the energy eigenvalues of a Morse oscillator, and are found to give results equal in accuracy to the plane waves. © 1992.

Full Text

Duke Authors

Cited Authors

  • Crawford, TD; Yang, W

Published Date

  • April 24, 1992

Published In

Volume / Issue

  • 192 / 1

Start / End Page

  • 45 - 48

International Standard Serial Number (ISSN)

  • 0009-2614

Digital Object Identifier (DOI)

  • 10.1016/0009-2614(92)85425-A

Citation Source

  • Scopus