Can Single-Reference Coupled Cluster Theory Describe Static Correlation?

作者: Ireneusz W. Bulik , Thomas M. Henderson , Gustavo E. Scuseria

DOI: 10.1021/ACS.JCTC.5B00422

关键词:

摘要: … for weakly correlated systems, it usually fails in the presence of static or strong correlation. This … catastrophic failures and accurately models strong correlations in a symmetry-adapted …

参考文章(46)
Tamar Stein, Thomas M. Henderson, Gustavo E. Scuseria, Seniority zero pair coupled cluster doubles theory Journal of Chemical Physics. ,vol. 140, pp. 214113- ,(2014) , 10.1063/1.4880819
Thomas M. Henderson, Gustavo E. Scuseria, Jorge Dukelsky, Angelo Signoracci, Thomas Duguet, Quasiparticle Coupled Cluster Theory for Pairing Interactions Physical Review C. ,vol. 89, pp. 054305- ,(2014) , 10.1103/PHYSREVC.89.054305
Gustavo E. Scuseria, Henry F. Schaefer, A new implementation of the full CCSDT model for molecular electronic structure Chemical Physics Letters. ,vol. 152, pp. 382- 386 ,(1988) , 10.1016/0009-2614(88)80110-6
Gustavo E. Scuseria, Curtis L. Janssen, Henry F. Schaefer, An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations The Journal of Chemical Physics. ,vol. 89, pp. 7382- 7387 ,(1988) , 10.1063/1.455269
Helen van Aggelen, Stephan N. Steinmann, Weitao Yang, Degao Peng, Equivalence of Particle-Particle Random Phase Approximation Correlation Energy and Ladder-Coupled-Cluster-Double arXiv: Chemical Physics. ,(2013) , 10.1063/1.4820556
Gustavo E. Scuseria, Ireneusz W. Bulik, Tamar Stein, Thomas M. Henderson, Seniority-based coupled cluster theory Journal of Chemical Physics. ,vol. 141, pp. 244104- ,(2014) , 10.1063/1.4904384
Gustavo E. Scuseria, Andrew C. Scheiner, Timothy J. Lee, Julia E. Rice, Henry F. Schaefer, The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results Journal of Chemical Physics. ,vol. 86, pp. 2881- 2890 ,(1987) , 10.1063/1.452039