Articoli con mandati relativi all'accesso pubblico - Gustavo E. ScuseriaUlteriori informazioni
Non disponibili pubblicamente: 6
Hybrid functionals including random phase approximation correlation and second-order screened exchange
J Paier, BG Janesko, TM Henderson, GE Scuseria, A Grüneis, G Kresse
The Journal of chemical physics 132 (9), 2010
Mandati: Austrian Science Fund
Many-electron self-interaction and spin polarization errors in local hybrid density functionals
R Haunschild, TM Henderson, CA Jimenez-Hoyos, GE Scuseria
The Journal of chemical physics 133 (13), 2010
Mandati: German Research Foundation
Range-separated local hybrids
R Haunschild, GE Scuseria
The Journal of chemical physics 132 (22), 2010
Mandati: German Research Foundation
Assessment of a density functional with full exact exchange and balanced non-locality of correlation
CA Jimenez-Hoyos, BG Janesko, GE Scuseria, VN Staroverov, ...
Molecular Physics 107 (8-12), 1077-1088, 2009
Mandati: US National Institutes of Health
Spin polynomial similarity transformation for repulsive Hamiltonians: interpolating between coupled cluster and spin-projected unrestricted Hartree–Fock
JA Gomez, M Degroote, J Zhao, Y Qiu, GE Scuseria
Physical Chemistry Chemical Physics 19 (33), 22385-22394, 2017
Mandati: US National Science Foundation
Assessing combinations of singlet-paired coupled cluster and density functional theory for treating electron correlation in closed and open shells
JA Gomez, M Molla, AJ Garza, TM Henderson, GE Scuseria
Molecular Physics 118 (4), 1615144, 2020
Mandati: US National Science Foundation, US Department of Energy
Disponibili pubblicamente: 96
Solutions of the two-dimensional Hubbard model: benchmarks and results from a wide range of numerical algorithms
JPF LeBlanc, AE Antipov, F Becca, IW Bulik, GKL Chan, CM Chung, ...
Physical Review X 5 (4), 041041, 2015
Mandati: US Department of Energy, National Natural Science Foundation of China …
Understanding band gaps of solids in generalized Kohn–Sham theory
JP Perdew, W Yang, K Burke, Z Yang, EKU Gross, M Scheffler, ...
Proceedings of the national academy of sciences 114 (11), 2801-2806, 2017
Mandati: US Department of Energy, German Research Foundation
Screened hybrid density functionals for solid-state chemistry and physics
BG Janesko, TM Henderson, GE Scuseria
Physical Chemistry Chemical Physics 11 (3), 443-454, 2009
Mandati: US National Institutes of Health
Predicting band gaps with hybrid density functionals
AJ Garza, GE Scuseria
The journal of physical chemistry letters 7 (20), 4165-4170, 2016
Mandati: US Department of Energy
Generalized gradient approximation model exchange holes for range-separated hybrids
TM Henderson, BG Janesko, GE Scuseria
The Journal of chemical physics 128 (19), 2008
Mandati: US National Institutes of Health
Towards the solution of the many-electron problem in real materials: Equation of state of the hydrogen chain with state-of-the-art many-body methods
M Motta, DM Ceperley, GKL Chan, JA Gomez, E Gull, S Guo, ...
Physical Review X 7 (3), 031059, 2017
Mandati: US National Science Foundation, US Department of Energy
Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence
J Sun, R Haunschild, B Xiao, IW Bulik, GE Scuseria, JP Perdew
The Journal of chemical physics 138 (4), 2013
Mandati: German Research Foundation
Density functionals that recognize covalent, metallic, and weak bonds
J Sun, B Xiao, Y Fang, R Haunschild, P Hao, A Ruzsinszky, GI Csonka, ...
Physical review letters 111 (10), 106401, 2013
Mandati: German Research Foundation
Observing metal-catalyzed chemical reactions in situ using surface-enhanced Raman spectroscopy on Pd− Au nanoshells
KN Heck, BG Janesko, GE Scuseria, NJ Halas, MS Wong
Journal of the American Chemical Society 130 (49), 16592-16600, 2008
Mandati: US National Institutes of Health
Exact parameterization of fermionic wave functions via unitary coupled cluster theory
FA Evangelista, GK Chan, GE Scuseria
The Journal of chemical physics 151 (24), 2019
Mandati: US Department of Energy
Assessment of correlation energies based on the random-phase approximation
J Paier, X Ren, P Rinke, GE Scuseria, A Grüneis, G Kresse, M Scheffler
New Journal of Physics 14 (4), 043002, 2012
Mandati: Austrian Science Fund
Adenine− and adenosine monophosphate (AMP)− gold binding interactions studied by surface-enhanced Raman and infrared spectroscopies
J Kundu, O Neumann, BG Janesko, D Zhang, S Lal, A Barhoumi, ...
The Journal of Physical Chemistry C 113 (32), 14390-14397, 2009
Mandati: US National Institutes of Health
Seniority-based coupled cluster theory
TM Henderson, IW Bulik, T Stein, GE Scuseria
The Journal of chemical physics 141 (24), 2014
Mandati: US Department of Energy
Density matrix embedding from broken symmetry lattice mean fields
IW Bulik, GE Scuseria, J Dukelsky
Physical Review B 89 (3), 035140, 2014
Mandati: Government of Spain
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