Abstract
AbstractThe two‐particle density matrix contains all information which is “readable” by one‐ and two‐particle operators. This work discusses the building of a two‐electron density matrix, which is perfectly N‐representable by construction. The 2‐matrix of a pure quantum state is obtained without the intermediate determination of the wave function. The procedure is illustrated by computations on atomic and small molecular systems. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 84: 32–38, 2001
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