2009年7月14日火曜日

mathematical challenges from theoretical / computational chemistry

In mathematical challenges from theoretical / computational chemistry by Committee on Mathematical Challenges from Computational Chemistry, "The N-and V-Representability Problems" is listed.
http://www.nap.edu/openbook.php?record_id=4886&page=48

> Unfortunately, only an incomplete set of necessary conditions are known, but these are already so complex that further work in this area has been abandoned by chemists.

For N-representability:
I think this is solved with negative result: computational complexity is QMA-complete.

For V-representability:
If I remembered correctly Ayers et al. have already published proof.

4 件のコメント:

  1. 讓好心情回味發酵;壞心情留在文字裡隨時間消逝吧!........................................

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自己紹介

* second order reduced density matrices * N-representability * Quantum Computer * multiple precision arithmetic

Nakata Maho is a scientist and interested in reduced density matrix related theories, optimization and multiple precision arithmetics.