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1

Electron correlation in solids via density embedding theory

Bulik, Ireneusz W., Chen, Weibing, Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 665 KB

english, 2014

2

Vibrational self-consistent field theory using optimized curvilinear coordinates

Bulik, Ireneusz W., Frisch, Michael J., Vaccaro, Patrick H.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 425 KB

english, 2017

3

Density matrix embedding from broken symmetry lattice mean fields

Bulik, Ireneusz W., Scuseria, Gustavo E., Dukelsky, Jorge

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 541 KB

english, 2014

4

Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms

LeBlanc, J. P. F., Antipov, Andrey E., Becca, Federico, Bulik, Ireneusz W., Chan, Garnet Kin-Lic, Chung, Chia-Min, Deng, Youjin, Ferrero, Michel, Henderson, Thomas M., Jiménez-Hoyos, Carlos A., Kozik,

Journal:

Physical Review X

Year:

2015

Language:

english

File:

PDF, 1.26 MB

english, 2015

5

Noncollinear density functional theory having proper invariance and local torque properties

Bulik, Ireneusz W., Scalmani, Giovanni, Frisch, Michael J., Scuseria, Gustavo E.

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 1.14 MB

english, 2013

6

Time-resolved photoluminescence spectroscopy for the detection of cysteine and other thiol containing amino acids in complex strongly autofluorescent media

Huang, Kewei, Bulik, Ireneusz W., Martí, Angel A.

Journal:

Chemical Communications

Year:

2012

Language:

english

File:

PDF, 1.43 MB

english, 2012

7

Proper and improper zero energy modes in Hartree-Fock theory and their relevance for symmetry breaking and restoration

Cui, Yao, Bulik, Ireneusz W., Jiménez-Hoyos, Carlos A., Henderson, Thomas M., Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 721 KB

english, 2013

8

Atypical calcium coordination number: Physicochemical study, cytotoxicity, DFT calculations and in silico pharmacokinetic characteristics of calcium caffeates

Gabriela Maciejewska, Wiktor Zierkiewicz, Anna Adach, Maria Kopacz, Iwona Zapała, Ireneusz Bulik, Maria Cieślak-Golonka, Tomasz Grabowski, Joanna Wietrzyk

Journal:

Journal of Inorganic Biochemistry

Year:

2009

Language:

english

File:

PDF, 390 KB

english, 2009

9

studied with a screened hybrid functional

El-Mellouhi, Fedwa, Brothers, Edward N., Lucero, Melissa J., Bulik, Ireneusz W., Scuseria, Gustavo E.

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 2.20 MB

english, 2013

10

Fixed--Node, Importance--Sampling Diffusion Monte Carlo for vibrational structure with accurate and compact trial states

Bulik, Ireneusz Wieslaw, Frisch, Michael J., Vaccaro, Patrick Henry

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 546 KB

english, 2018

11

Seniority-based coupled cluster theory

Henderson, Thomas M., Bulik, Ireneusz W., Stein, Tamar, Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1015 KB

english, 2014

12

Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions

Garza, Alejandro J., Bulik, Ireneusz W., Alencar, Ana G. Sousa, Sun, Jianwei, Perdew, John P., Scuseria, Gustavo E.

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 1.25 MB

english, 2015

13

Can Single-Reference Coupled Cluster Theory Describe Static Correlation?

Bulik, Ireneusz W., Henderson, Thomas M., Scuseria, Gustavo E.

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 271 KB

english, 2015

14

Synergy between pair coupled cluster doubles and pair density functional theory

Garza, Alejandro J., Bulik, Ireneusz W., Henderson, Thomas M., Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.05 MB

english, 2015

15

Electronic and vibrational contributions to first hyperpolarizability of donor–acceptor-substituted azobenzene

Zaleśny, Robert, Bulik, Ireneusz W., Bartkowiak, Wojciech, Luis, Josep M., Avramopoulos, Aggelos, Papadopoulos, Manthos G., Krawczyk, Przemysław

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 377 KB

english, 2010

16

Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence

Sun, Jianwei, Haunschild, Robin, Xiao, Bing, Bulik, Ireneusz W., Scuseria, Gustavo E., Perdew, John P.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 696 KB

english, 2013

17

Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory

Scuseria, Gustavo E., Henderson, Thomas M., Bulik, Ireneusz W.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.45 MB

english, 2013

18

Range separated hybrids of pair coupled cluster doubles and density functionals

Garza, Alejandro J., Bulik, Ireneusz W., Henderson, Thomas M., Scuseria, Gustavo E.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.97 MB

english, 2015

19

Pair extended coupled cluster doubles

Henderson, Thomas M., Bulik, Ireneusz W., Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 798 KB

english, 2015

20

Blind test of density-functional-based methods on intermolecular interaction energies

Taylor, DeCarlos E., Ángyán, János G., Galli, Giulia, Zhang, Cui, Gygi, Francois, Hirao, Kimihiko, Song, Jong Won, Rahul, Kar, Anatole von Lilienfeld, O., Podeszwa, Rafał, Bulik, Ireneusz W., Henderso

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 5.47 MB

english, 2016

21

Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities

Bulik, Ireneusz W., Zaleśny, Robert, Bartkowiak, Wojciech, Luis, Josep M., Kirtman, Bernard, Scuseria, Gustavo E., Avramopoulos, Aggelos, Reis, Heribert, Papadopoulos, Manthos G.

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 774 KB

english, 2013

22

Semilocal exchange hole with an application to range-separated density functionals

Tao, Jianmin, Bulik, Ireneusz W., Scuseria, Gustavo E.

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 493 KB

english, 2017

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