Ireneusz Grabowski: search on Z-Library

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1

The spin-component-scaled ΔMP2 parametrization: towards a simple and reliable method for ionization energies

Śmiga, Szymon, Grabowski, Ireneusz

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 12.84 MB

english, 2018

2

Self-consistent range-separated density-functional theory with second-order perturbative correction via the optimized-effective-potential method

Śmiga, Szymon, Grabowski, Ireneusz, Witkowski, Mateusz, Mussard, Bastien, Toulouse, Julien

Journal:

Journal of Chemical Theory and Computation

Year:

2019

File:

PDF, 707 KB

2019

3

Comparing ab initio density-functional and wave function theories: The impact of correlation on the electronic density and the role of the correlation potential

Grabowski, Ireneusz, Teale, Andrew M., Śmiga, Szymon, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 851 KB

english, 2011

4

Time–distance domain transformation for Acoustic Emission source localization in thin metallic plates

Grabowski, Krzysztof, Gawronski, Mateusz, Baran, Ireneusz, Spychalski, Wojciech, Staszewski, Wieslaw J., Uhl, Tadeusz, Kundu, Tribikram, Packo, Pawel

Journal:

Year:

2016

Language:

english

File:

PDF, 1.27 MB

english, 2016

5

A density difference based analysis of orbital-dependent exchange-correlation functionals

Grabowski, Ireneusz, Teale, Andrew M., Fabiano, Eduardo, Śmiga, Szymon, Buksztel, Adam, Sala, Fabio Della

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 765 KB

english, 2014

6

Detection of discoloration in diesel fuel based on gas chromatographic fingerprints

Krakowska, Barbara, Stanimirova, Ivana, Orzel, Joanna, Daszykowski, Michal, Grabowski, Ireneusz, Zaleszczyk, Grzegorz, Sznajder, Miroslaw

Journal:

Analytical and Bioanalytical Chemistry

Year:

2015

Language:

english

File:

PDF, 468 KB

english, 2015

7

Time-dependent density functional theory employing optimized effective potentials

Hirata, So, Ivanov, Stanislav, Grabowski, Ireneusz, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 385 KB

english, 2002

8

Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method

Grabowski, Ireneusz, Fabiano, Eduardo, Teale, Andrew M., Śmiga, Szymon, Buksztel, Adam, Sala, Fabio Della

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.08 MB

english, 2014

9

Investigation of the exchange-correlation potentials of functionals based on the adiabatic connection interpolation

Fabiano, Eduardo, Śmiga, Szymon, Giarrusso, Sara, Daas, Timothy J., Della Sala, Fabio, Grabowski, Ireneusz, Gori-Giorgi, Paola

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 1011 KB

english, 2019

10

Erratum: “Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis” [J. Chem. Phys. 114, 3919 (2001)]

Hirata, So, Nooijen, Marcel, Grabowski, Ireneusz, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 171 KB

english, 2001

11

Ab initio Correlation Effects in Density Functional Theories: An Electron-Distribution-Based Study for Neon

Jankowski, Karol, Grabowski, Ireneusz, Nowakowski, Krzysztof, Wasilewski, Jan

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2005

Language:

english

File:

PDF, 386 KB

english, 2005

12

Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis

Hirata, So, Nooijen, Marcel, Grabowski, Ireneusz, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 386 KB

english, 2001

13

Ab initio density functional theory: OEP-MBPT(2). A new orbital-dependent correlation functional

Grabowski, Ireneusz, Hirata, So, Ivanov, Stanislav, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 466 KB

english, 2002

14

Ab initio DFT – the seamless connection between WFT and DFT

Grabowski, Ireneusz, Lotrich, Victor, Hirata, So

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 228 KB

english, 2010

15

Ab initio dynamic correlation effects in density functional theories: a density based study for argon

Karol Jankowski, Krzysztof Nowakowski, Ireneusz Grabowski, Jan Wasilewski

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2010

Language:

english

File:

PDF, 556 KB

english, 2010

16

Ab initio density functional theory applied to quasidegenerate problems

Grabowski, Ireneusz, Lotrich, Victor, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 149 KB

english, 2007

17

The ab initio density functional theory applied for spin-polarized calculations

Åmiga, Szymon, Marusiak, Volodymyr, Grabowski, Ireneusz, Fabiano, Eduardo

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.27 MB

2020

18

The exchange-correlation potential in ab initio density functional theory

Bartlett, Rodney J., Grabowski, Ireneusz, Hirata, So, Ivanov, Stanislav

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 502 KB

english, 2005

19

Intermolecular potential energy surfaces of weakly bound dimers computed from ab initio density functional theory: The right answer for the right reason

Victor F. Lotrich, Rodney J. Bartlett, Ireneusz Grabowski

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 156 KB

english, 2005

20

A coupled-cluster correction to the multi-reference configuration interaction method

Leszek Meissner, Ireneusz Grabowski

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 79 KB

english, 1999

21

Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method

Śmiga, Szymon, Franck, Odile, Mussard, Bastien, Buksztel, Adam, Grabowski, Ireneusz, Luppi, Eleonora, Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.33 MB

english, 2016

22

A simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of the dissociation energy curve of noncovalently-interacting systems

Grabowski, Ireneusz, Fabiano, Eduardo, Sala, Fabio Della

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.49 MB

english, 2013

23

Accurate orbital-dependent correlation and exchange-correlation potentials from non-iterative ab initio dft calculations

Grabowski *, Ireneusz, Lotrich, Victor

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 170 KB

english, 2005

24

Highly accurate treatment of electron correlation in polymers: coupled-cluster and many-body perturbation theories

So Hirata, Ireneusz Grabowski, Motoi Tobita, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 96 KB

english, 2001

25

Connections between second-order Görling–Levy and many-body perturbation approaches in density functional theory

Ivanov, Stanislav, Hirata, So, Grabowski, Ireneusz, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 357 KB

english, 2003

26

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

27

On the mutual exclusion of variationality and size consistency

Hirata, So, Grabowski, Ireneusz

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2014

Language:

english

File:

PDF, 771 KB

english, 2014

28

Exact-exchange time-dependent density-functional theory for static and dynamic polarizabilities

Hirata, So, Ivanov, Stanislav, Bartlett, Rodney J., Grabowski, Ireneusz

Journal:

Physical Review A

Year:

2005

Language:

english

File:

PDF, 60 KB

english, 2005

29

SPIE Proceedings [SPIE SPIE Smart Structures and Materials + Nondestructive Evaluation and Health Monitoring - San Diego, California, United States (Sunday 8 March 2015)] Health Monitoring of Structural and Biological Systems 2015 - Distance-domain based localization techniques for acoustic emission sources: a comparative study

Kundu, Tribikram, Grabowski, Krzysztof, Gawronski, Mateusz, Nakatani, Hayato, Packo, Pawel, Baran, Ireneusz, Spychalski, Wojciech, Staszewski, Wieslaw, Uhl, Tadeusz, Kundu, Tribikram

Year:

2015

Language:

english

File:

PDF, 583 KB

english, 2015

30

Accurate Kohn-Sham ionization potentials from scaled-opposite-spin second-order optimized effective potential methods

Śmiga, Szymon, Della Sala, Fabio, Buksztel, Adam, Grabowski, Ireneusz, Fabiano, Eduardo

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 666 KB

english, 2016

31

Comparison of second-order orbital-dependent DFT correlation functionals

Ireneusz Grabowski

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 128 KB

english, 2008

32

Can optimized effective potentials be determined uniquely?

Hirata, So, Ivanov, Stanislav, Grabowski, Ireneusz, Bartlett, Rodney J., Burke, Kieron, Talman, James D.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 429 KB

english, 2001

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