12k citations · 25.8k across the 15 of their papers we have counts for
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Long-range-corrected hybrids including RPA correlation
Benjamin G. Janesko, Thomas M. Henderson, Gustavo E. Scuseria
We recently demonstrated a connection between the random phase approximation (RPA) and coupled cluster theory [J. Chem. Phys. 129, 231101 (2008)]. Based on this result, we here pro…
Half-metallic zigzag carbon nanotube dots
Oded Hod, Gustavo E. Scuseria
A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite zigzag carbon nanotubes is presented. Unlike previous reports, we…
Electronic Structure of Copper Phthalocyanine: a Comparative Density Functional Theory Study
Noa Marom, Oded Hod, Gustavo E. Scuseria +1
We present a systematic density functional theory study of the electronic structure of copper phthalocyanine (CuPc), using several different (semi)-local and hybrid functionals, an…
Restoring the density-gradient expansion for exchange in solids and surfaces
John P. Perdew, Adrienn Ruzsinszky, Gabor I. Csonka +5
Successful modern generalized gradient approximations (GGA's) are biased toward atomic energies. Restoration of the first-principles gradient expansion for exchange over a wide ran…
Exact-exchange energy density in the gauge of a semilocal density functional approximation
Jianmin Tao, Viktor N. Staroverov, Gustavo E. Scuseria +1
Exact-exchange energy density and energy density of a semilocal density functional approximation are two key ingredients for modeling the static correlation, a strongly nonlocal fu…
Edge Effects in Finite Elongated Graphene Nanoribbons
Oded Hod, Juan E. Peralta, Gustavo E. Scuseria
We analyze the relevance of finite-size effects to the electronic structure of long graphene nanoribbons using a divide and conquer density functional approach. We find that for hy…