activity
20122016
most citedCan single-reference coupled cluster theory describe static correlation?

165 citations · 284 across the 4 of their papers we have counts for

collaborators

11 papers

cond-mat.mtrl-sci2016★ 22 cited

Semilocal exchange hole with an application to range-separation density functional

Jianmin Tao, Ireneusz W. Bulik, Gustavo E. Scuseria

Exchange-correlation hole is a central concept in density functional theory. It not only provides justification for an exchange-correlation energy functional, but also serves as a…

physics.chem-ph2015★ 27 cited

Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions

Alejandro J. Garza, Ireneusz W. Bulik, Ana G. Sousa Alencar +3

Contrary to standard coupled cluster doubles (CCD) and Brueckner doubles (BD), singlet-paired analogues of CCD and BD (denoted here as CCD0 and BD0) do not break down when static c…

physics.chem-ph2015★ 165 cited

Can single-reference coupled cluster theory describe static correlation?

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

While restricted single-reference coupled cluster theory truncated to singles and doubles (CCSD) provides very accurate results for weakly correlated systems, it usually fails in t…

physics.chem-ph2015★ 70 cited

Pair extended coupled cluster doubles

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

The accurate and efficient description of strongly correlated systems remains an important challenge for computational methods. Doubly occupied configuration interaction (DOCI), in…

physics.chem-ph2014

Seniority-based coupled cluster theory

Thomas M. Henderson, Ireneusz W. Bulik, Tamar Stein +1

Doubly occupied configuration interaction (DOCI) with optimized orbitals often accurately describes strong correlations while working in a Hilbert space much smaller than that need…

physics.chem-ph2014

Electron correlation in solids via density embedding theory

Ireneusz W. Bulik, Weibing Chen, Gustavo E. Scuseria

Density matrix embedding theory (Phys. Rev. Lett. 109, 186404 (2012)) and density embedding theory ((Phys. Rev. B 89, 035140 (2014)) have recently been introduced for model lattice…