Ireneusz W. Bulik
Ireneusz W. Bulik
Department of Chemistry, Yale University
Verifierad e-postadress på yale.edu - Startsida
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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
383*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), 044113, 2013
1602013
Density matrix embedding from broken symmetry lattice mean fields
IW Bulik, GE Scuseria, J Dukelsky
Physical Review B 89 (3), 035140, 2014
992014
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), 124105, 2016
902016
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
902015
Seniority-based coupled cluster theory
TM Henderson, IW Bulik, T Stein, GE Scuseria
The Journal of chemical physics 141 (24), 244104, 2014
902014
Electron correlation in solids via density embedding theory
IW Bulik, W Chen, GE Scuseria
The Journal of chemical physics 141 (5), 054113, 2014
782014
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
632013
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), 104113, 2013
622013
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
532013
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), 244308, 2010
502010
Pair extended coupled cluster doubles
TM Henderson, IW Bulik, GE Scuseria
The Journal of chemical physics 142 (21), 214116, 2015
432015
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
382013
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
372015
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), 044109, 2015
322015
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
292012
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), 154107, 2013
262013
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
252016
Semilocal exchange hole with an application to range-separated density functionals
J Tao, IW Bulik, GE Scuseria
Physical Review B 95 (12), 125115, 2017
192017
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
152009
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Artiklar 1–20