The second-order reduced density matrix method and the two-dimensional Hubbard model

James S.M. Anderson, Maho Nakata, Ryo Igarashi, Katsuki Fujisawa, Makoto Yamashita

研究成果: Contribution to journalArticle査読

9 被引用数 (Scopus)

抄録

The second-order reduced density matrix method (the RDM method) has performed well in determining energies and properties of atomic and molecular systems, achieving coupled-cluster singles and doubles with perturbative triples (CCSD (T)) accuracy without using the wave-function. One question that arises is how well does the RDM method perform with the same conditions that result in CCSD (T) accuracy in the strong correlation limit. The simplest and a theoretically important model for strongly correlated electronic systems is the Hubbard model. In this paper, we establish the utility of the RDM method when employing the P,. Q,. G,. T1 and T2' conditions in the two-dimensional Hubbard model case and we conduct a thorough study applying the 4. ×. 4 Hubbard model employing a coefficients. Within the Hubbard Hamiltonian we found that even in the intermediate setting, where U/. t is between 4 and 10, the P, Q, G, T1 and T2' conditions reproduced good ground state energies.

本文言語英語
ページ(範囲)22-27
ページ数6
ジャーナルComputational and Theoretical Chemistry
1003
DOI
出版ステータス出版済み - 1 1 2013
外部発表はい

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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