Gustavo E. Scuseria
Gustavo E. Scuseria
Welch Professor of Chemistry, Physics & Astronomy, and Materials Science & NanoEngineering
Verifierad e-postadress på rice.edu - Startsida
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Gaussian
M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford, CT 200, 2009
113892*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
122832003
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
79211996
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
66492008
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
57812003
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
49081998
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
37422006
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
M Ernzerhof, GE Scuseria
The Journal of chemical physics 110 (11), 5029-5036, 1999
32721999
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
19722003
Electronic structure and stability of semiconducting graphene nanoribbons
V Barone, O Hod, GE Scuseria
Nano letters 6 (12), 2748-2754, 2006
17582006
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
16922004
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
16491988
Assessment of a long-range corrected hybrid functional
OA Vydrov, GE Scuseria
The Journal of chemical physics 125 (23), 234109, 2006
16062006
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
14722005
Theory and Applications of Computational Chemistry: the first forty years
C Dykstra, G Frenking, K Kim, G Scuseria
Elsevier, 2011
1359*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
11861989
C2F, BN, and C nanoshell elasticity from ab initio computations
KN Kudin, GE Scuseria, BI Yakobson
Physical Review B 64 (23), 235406, 2001
11102001
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
9772005
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
9032006
A novel form for the exchange-correlation energy functional
T Van Voorhis, GE Scuseria
The Journal of chemical physics 109 (2), 400-410, 1998
8771998
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Artiklar 1–20