TY - JOUR
T1 - The second-order reduced density matrix method and the two-dimensional Hubbard model
AU - Anderson, James S.M.
AU - Nakata, Maho
AU - Igarashi, Ryo
AU - Fujisawa, Katsuki
AU - Yamashita, Makoto
N1 - Funding Information:
We devote this paper of A.J. Coleman who contributed and motivated the researchers to the reduced density matrix method. J.S. MA. is grateful to Prof. Coleman for all of the sound academic and career advice he received from him. This research was partially supported by the Japan Science and Technology Agency (JST) Core Research of Evolutionary Science and Technology (CREST) research project. M.N. was supported by the Special Postdoctoral Researchers’ Program of RIKEN , and the study is partially supported by Grant-in-Aid for Scientific Research (B) 21300017 . J.S. MA. was supported by a postdoctoral fellowship from Japan Society for the Promotion of Science for foreign researchers. R.I. was supported by the Strategic Programs for Innovative Research (SPIRE), MEXT , and the Computational Materials Science Initiative (CMSI), Japan , and M. Y. was partially supported by Grant-in-Aid for Young Scientists (B) 24710161 .
PY - 2013/1/1
Y1 - 2013/1/1
N2 - 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.
AB - 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.
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U2 - 10.1016/j.comptc.2012.08.018
DO - 10.1016/j.comptc.2012.08.018
M3 - Article
AN - SCOPUS:84871805530
SN - 2210-271X
VL - 1003
SP - 22
EP - 27
JO - Computational and Theoretical Chemistry
JF - Computational and Theoretical Chemistry
ER -