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 | 678* | 2015 |
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 | 214 | 2013 |
Can single-reference coupled cluster theory describe static correlation? IW Bulik, TM Henderson, GE Scuseria Journal of chemical theory and computation 11 (7), 3171-3179, 2015 | 149 | 2015 |
Seniority-based coupled cluster theory TM Henderson, IW Bulik, T Stein, GE Scuseria The Journal of chemical physics 141 (24), 2014 | 139 | 2014 |
Density matrix embedding from broken symmetry lattice mean fields IW Bulik, GE Scuseria, J Dukelsky Physical Review B 89 (3), 035140, 2014 | 133 | 2014 |
Blind test of density-functional-based methods on intermolecular interaction energies DCE Taylor, JG Ángyán, G Galli, C Zhang, F Gygi, K Hirao, JW Song, ... The Journal of chemical physics 145 (12), 2016 | 127 | 2016 |
Electron correlation in solids via density embedding theory IW Bulik, W Chen, GE Scuseria The Journal of chemical physics 141 (5), 2014 | 102 | 2014 |
Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory GE Scuseria, TM Henderson, IW Bulik The Journal of Chemical Physics 139 (10), 2013 | 100 | 2013 |
Noncollinear density functional theory having proper invariance and local torque properties IW Bulik, G Scalmani, MJ Frisch, GE Scuseria Physical Review B 87 (3), 035117, 2013 | 82 | 2013 |
Structural phase transitions of the metal oxide perovskites SrTiO, LaAlO, and LaTiO studied with a screened hybrid functional F El-Mellouhi, EN Brothers, MJ Lucero, IW Bulik, GE Scuseria Physical Review B 87 (3), 035107, 2013 | 72 | 2013 |
Pair extended coupled cluster doubles TM Henderson, IW Bulik, GE Scuseria The Journal of Chemical Physics 142 (21), 2015 | 61 | 2015 |
Electronic and vibrational contributions to first hyperpolarizability of donor–acceptor-substituted azobenzene R Zaleśny, IW Bulik, W Bartkowiak, JM Luis, A Avramopoulos, ... The Journal of chemical physics 133 (24), 2010 | 55 | 2010 |
Range separated hybrids of pair coupled cluster doubles and density functionals AJ Garza, IW Bulik, TM Henderson, GE Scuseria Physical Chemistry Chemical Physics 17 (34), 22412-22422, 2015 | 50 | 2015 |
Performance of density functional theory in computing nonresonant vibrational (hyper) polarizabilities IW Bulik, R Zaleśny, W Bartkowiak, JM Luis, B Kirtman, GE Scuseria, ... Journal of Computational Chemistry 34 (20), 1775-1784, 2013 | 47 | 2013 |
Synergy between pair coupled cluster doubles and pair density functional theory AJ Garza, IW Bulik, TM Henderson, GE Scuseria The Journal of Chemical Physics 142 (4), 2015 | 40 | 2015 |
Time-resolved photoluminescence spectroscopy for the detection of cysteine and other thiol containing amino acids in complex strongly autofluorescent media K Huang, IW Bulik, AA Martí Chemical communications 48 (96), 11760-11762, 2012 | 35 | 2012 |
Proper and improper zero energy modes in Hartree-Fock theory and their relevance for symmetry breaking and restoration Y Cui, IW Bulik, CA Jiménez-Hoyos, TM Henderson, GE Scuseria The Journal of Chemical Physics 139 (15), 2013 | 34 | 2013 |
Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions AJ Garza, IW Bulik, AGS Alencar, J Sun, JP Perdew, GE Scuseria Molecular Physics 114 (7-8), 997-1018, 2016 | 29 | 2016 |
Semilocal exchange hole with an application to range-separated density functionals J Tao, IW Bulik, GE Scuseria Physical Review B 95 (12), 125115, 2017 | 24 | 2017 |
Atypical calcium coordination number: Physicochemical study, cytotoxicity, DFT calculations and in silico pharmacokinetic characteristics of calcium caffeates G Maciejewska, W Zierkiewicz, A Adach, M Kopacz, I Zapała, I Bulik, ... Journal of inorganic biochemistry 103 (9), 1189-1195, 2009 | 22 | 2009 |