I. Grabowski

发表

Ab initio correlation effects in density functional theories : An electron-distribution-based study for neon

K. Jankowski, I. Grabowski, K. Nowakowski, 2005 .

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

J. Toulouse, I. Grabowski, E. Luppi, 2016, Journal of Chemical Physics.

From simple molecules to nanotubes. Reliable predictions of ionization potentials from the ΔMP2-SCS methods

I. Grabowski, S. Śmiga, Sylwia Siecińska, 2020, New Journal of Physics.

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

R. Bartlett, S. Hirata, I. Grabowski, 2005 .

A COUPLED-CLUSTER CORRECTION TO THE MULTI-REFERENCE CONFIGURATION INTERACTION METHOD

I. Grabowski, L. Meissner, 1999 .

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

F. Della Sala, A. M. Teale, I. Grabowski, 2014, The Journal of chemical physics.

Optimized effective potential method based on spin-resolved components of the second-order correlation energy in density functional theory

I. Grabowski, F. D. Sala, E. Fabiano, 2013 .

Density-Based Analysis of Spin-Resolved MP2 Method

I. Grabowski, S. Śmiga, M. Witkowski, 2017 .

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

A. M. Teale, I. Grabowski, S. Śmiga, 2013, 1311.1299.

Boosting the OEP2-sc method with spin-component scaling

F. Della Sala, I. Grabowski, S. Śmiga, 2022, Molecular Physics.

Correspondence between physical states and solutions to the coupled‐cluster equations

K. Kowalski, H. Monkhorst, K. Jankowski, 1999 .

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

R. Bartlett, I. Grabowski, V. Lotrich, 2005 .

Time-dependent density functional theory employing optimized effective potentials

R. Bartlett, S. Hirata, I. Grabowski, 2002 .

Erratum: Applicability of valence‐universal multireference coupled‐cluster theories to quasidegenerate electronic states. I. Models involving at most two‐body amplitudes [J. Chem. Phys. 97, 7600 (1992)]

K. Kowalski, J. Paldus, K. Jankowski, 1994 .

Applicability of valence-universal multireference coupled-cluster theories to quasidegenerate electronic states. I. Models involving at most two-body amplitudes

K. Kowalski, J. Paldus, K. Jankowski, 1992 .

The exchange-correlation potential in ab initio density functional theory.

So Hirata, Rodney J Bartlett, Ireneusz Grabowski, 2005, The Journal of chemical physics.

Can optimized effective potentials be determined uniquely

So Hirata, Kieron Burke, Rodney J. Bartlett, 2001 .

Investigation of the Exchange-Correlation Potentials of Functionals Based on the Adiabatic Connection Interpolation.

P. Gori-Giorgi, F. Della Sala, I. Grabowski, 2018, Journal of chemical theory and computation.

Ab initio DFT – the seamless connection between WFT and DFT

S. Hirata, I. Grabowski, V. Lotrich, 2010 .

On the mutual exclusion of variationality and size consistency

S. Hirata, I. Grabowski, 2014, Theoretical Chemistry Accounts.

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

So Hirata, Rodney J. Bartlett, Marcel Nooijen, 2001 .

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

I. Grabowski, S. Śmiga, E. Fabiano, 2020, The Journal of chemical physics.

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

J. Toulouse, I. Grabowski, B. Mussard, 2019, Journal of chemical theory and computation.

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

Fabio Della Sala, Eduardo Fabiano, Szymon Smiga, 2016, J. Comput. Chem..

Accurate non-covalent interaction energies via an efficient MP2 scaling procedure

I. Grabowski, F. D. Sala, E. Fabiano, 2015, 1507.03339.

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

K. Jankowski, I. Grabowski, K. Nowakowski, 2010 .

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

R. Bartlett, A. M. Teale, I. Grabowski, 2011, The Journal of chemical physics.

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

So Hirata, Rodney J. Bartlett, Ireneusz Grabowski, 2001 .

Ab initio density functional theory applied to quasidegenerate problems.

R. Bartlett, I. Grabowski, V. Lotrich, 2007, The Journal of chemical physics.

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

R. Bartlett, S. Hirata, I. Grabowski, 2003 .

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

So Hirata, Rodney J. Bartlett, Ireneusz Grabowski, 2002 .

OEP Orbitals as a Reference for Ab Initio Many-Body Calculations

I. Grabowski, S. Śmiga, Adam Buksztel, 2014 .

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

F. Della Sala, I. Grabowski, E. Fabiano, 2013, Physical chemistry chemical physics : PCCP.

Approximate Coupled Cluster Methods: Combined Reduced Multireference and Almost–Linear Coupled Cluster Methods with Singles and Doubles 1

J. Paldus, K. Jankowski, I. Grabowski, 1999 .

Coverage of dynamic correlation effects by density functional theory functionals: density-based analysis for neon.

K. Jankowski, I. Grabowski, K. Nowakowski, 2009, The Journal of chemical physics.

Spin-Component-Scaled ΔMP2 Parametrization: Toward a Simple and Reliable Method for Ionization Energies.

I. Grabowski, S. Śmiga, 2018, Journal of chemical theory and computation.

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

So Hirata, Rodney J. Bartlett, Marcel Nooijen, 2001 .

The Correlation Effects in Density Functional Theory Along the Dissociation Path

I. Grabowski, S. Śmiga, Adam Buksztel, 2016 .

Comparison of second‐order orbital‐dependent DFT correlation functionals

I. Grabowski, 2008 .

Density-Dependent Exchange–Correlation Potentials Derived From highly Accurate Ab initio Calculations

I. Grabowski, S. Śmiga, Adam Buksztel, 2014 .

Nonconvergence of the Feynman-Dyson diagrammatic perturbation expansion of propagators

I. Grabowski, J. V. Ortiz, So Hirata, 2023, Physical Review A.