### Abstract

The energy of a system which is described by a Hamiltonian which includes at most two-particle interactions can be expressed in terms of the second order reduced density matrix. However, for the 2-matrix to have proper symmetry is a weaker condition than requiring that the wavefunction be antisymmetric, which is called the N-representability problem, a problem of long term interest. Coleman [Reduced Density Matrices: Coulson's Challenge, Springer, New York, 2000] however, proposed an algorithm which ensures N-representability. In this Letter we examine the algorithm and show its connection to the full configuration interaction method and the contracted Schroedinger equation.

Original language | English (US) |
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Pages (from-to) | 263-269 |

Number of pages | 7 |

Journal | Chemical Physics Letters |

Volume | 355 |

Issue number | 3-4 |

DOIs | |

State | Published - Apr 2 2002 |

Externally published | Yes |

### ASJC Scopus subject areas

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

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## Cite this

*Chemical Physics Letters*,

*355*(3-4), 263-269. https://doi.org/10.1016/S0009-2614(02)00239-7