### Abstract

In density functional approaches the basic interest is to create density matrices resulting in a one-electron density function. It is shown that the tool of multiresolution analysis using localized scaling functions leads to a natural representation of density operators and electron densities at any resolution level. Thus, a method for finding the expansion coefficients of the one-particle density matrix using density data only is developed.

Original language | English |
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Pages (from-to) | 8257-8265 |

Number of pages | 9 |

Journal | Journal of Chemical Physics |

Volume | 119 |

Issue number | 16 |

DOIs | |

Publication status | Published - okt. 22 2003 |

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### ASJC Scopus subject areas

- Physics and Astronomy(all)
- Physical and Theoretical Chemistry