Gustavo E. Scuseria
Gustavo E. Scuseria
Professor of Chemistry, Physics & Astronomy, Materials Science & NanoEngineering, Rice University
Bestätigte E-Mail-Adresse bei rice.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Gaussian
M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford, CT 200, 2009
152483*2009
Hybrid functionals based on a screened Coulomb potential
J Heyd, GE Scuseria, M Ernzerhof
The Journal of chemical physics 118 (18), 8207-8215, 2003
110862003
Crystalline ropes of metallic carbon nanotubes
A Thess, R Lee, P Nikolaev, H Dai, P Petit, J Robert, C Xu, YH Lee, ...
Science 273 (5274), 483-487, 1996
76791996
Restoring the density-gradient expansion for exchange in solids and surfaces
JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ...
Physical review letters 100 (13), 136406, 2008
58722008
Climbing the density functional ladder: Nonempirical meta–generalized gradient approximation designed for molecules and solids
J Tao, JP Perdew, VN Staroverov, GE Scuseria
Physical Review Letters 91 (14), 146401, 2003
54002003
An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
RE Stratmann, GE Scuseria, MJ Frisch
The Journal of chemical physics 109 (19), 8218-8224, 1998
46541998
Gaussian 09; Gaussian, Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT 32, 5648-5652, 2009
4614*2009
Influence of the exchange screening parameter on the performance of screened hybrid functionals
AV Krukau, OA Vydrov, AF Izmaylov, GE Scuseria
The Journal of chemical physics 125 (22), 224106, 2006
33022006
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
M Ernzerhof, GE Scuseria
The Journal of chemical physics 110 (11), 5029-5036, 1999
30191999
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
VN Staroverov, GE Scuseria, J Tao, JP Perdew
The Journal of chemical physics 119 (23), 12129-12137, 2003
18282003
Electronic structure and stability of semiconducting graphene nanoribbons
V Barone, O Hod, GE Scuseria
Nano letters 6 (12), 2748-2754, 2006
17062006
An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations
GE Scuseria, CL Janssen, HF Schaefer Iii
The Journal of Chemical Physics 89 (12), 7382-7387, 1988
15901988
Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional
J Heyd, GE Scuseria
The Journal of chemical physics 121 (3), 1187-1192, 2004
15482004
Assessment of a long-range corrected hybrid functional
OA Vydrov, GE Scuseria
The Journal of chemical physics 125 (23), 234109, 2006
14962006
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
J Heyd, JE Peralta, GE Scuseria, RL Martin
The Journal of chemical physics 123 (17), 174101, 2005
13432005
Theory and Applications of Computational Chemistry: the first forty years
C Dykstra, G Frenking, K Kim, G Scuseria
Elsevier, 2011
1287*2011
Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?
GE Scuseria, HF Schaefer III
The Journal of Chemical Physics 90 (7), 3700-3703, 1989
11381989
C2F, BN, and C nanoshell elasticity from ab initio computations
KN Kudin, GE Scuseria, BI Yakobson
Physical Review B 64 (23), 235406, 2001
10502001
Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
JP Perdew, A Ruzsinszky, J Tao, VN Staroverov, GE Scuseria, GI Csonka
The Journal of chemical physics 123 (6), 062201, 2005
9082005
Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals
OA Vydrov, J Heyd, AV Krukau, GE Scuseria
The Journal of Chemical Physics 125 (7), 074106, 2006
8622006
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