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Scopus Author ID: 6601954999

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Lodz University of Technology: Łódź, PL

prof. (Institute of Physics)
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Source: Self-asserted source
Katarzyna Pernal

Works (50 of 80)

Items per page:
Page 1 of 2

Long-range-corrected multiconfiguration density functional with the on-top pair density

Journal of Chemical Physics
2020 | Journal article
DOI: 10.1063/1.5138980
EID:

2-s2.0-85081129534
Contributors: Hapka, M.; Pastorczak, E.; Krzemińska, A.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Approximating one-matrix functionals without generalized Pauli constraints

Physical Review A
2019 | Journal article
DOI: 10.1103/PhysRevA.100.012509
EID:

2-s2.0-85069881337
Contributors: Gritsenko, O.V.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Capturing the Dynamic Correlation for Arbitrary Spin-Symmetry CASSCF Reference with Adiabatic Connection Approaches: Insights into the Electronic Structure of the Tetramethyleneethane Diradical

Journal of Physical Chemistry Letters
2019 | Journal article
DOI: 10.1021/acs.jpclett.9b01582
EID:

2-s2.0-85070891434
Contributors: Pastorczak, E.; Hapka, M.; Veis, L.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Complete active space and corrected density functional theories helping each other to describe vertical electronic π → π∗ excitations in prototype multiple-bonded molecules

Journal of Chemical Physics
2019 | Journal article
DOI: 10.1063/1.5103220
EID:

2-s2.0-85068927518
Contributors: Gritsenko, O.V.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Electron correlation energy with a combined complete active space and corrected density-functional approach in a small basis versus the reference complete basis set limit: A close agreement

Chemical Physics Letters
2019 | Journal article
DOI: 10.1016/j.cplett.2018.12.028
EID:

2-s2.0-85059473825
Contributors: Gritsenko, O.V.; van Meer, R.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Generalized Valence Bond Perfect-Pairing Made Versatile Through Electron-Pairs Embedding

Journal of Chemical Theory and Computation
2019 | Journal article
DOI: 10.1021/acs.jctc.9b00384
EID:

2-s2.0-85070517189
Contributors: Pastorczak, E.; Jensen, H.Jø.A.; Kowalski, P.H.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Reproducing benchmark potential energy curves of molecular bond dissociation with small complete active space aided with density and density-matrix functional corrections

Journal of Chemical Physics
2019 | Journal article
DOI: 10.1063/1.5124948
EID:

2-s2.0-85074384643
Contributors: Pernal, K.; Gritsenko, O.V.; Van Meer, R.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Second-Order Exchange-Dispersion Energy Based on a Multireference Description of Monomers

Journal of Chemical Theory and Computation
2019 | Journal article
DOI: 10.1021/acs.jctc.9b00925
EID:

2-s2.0-85075475347
Contributors: Hapka, M.; Przybytek, M.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Correlation energy from random phase approximations: A reduced density matrices perspective

International Journal of Quantum Chemistry
2018 | Journal article
DOI: 10.1002/qua.25462
EID:

2-s2.0-85034108213
Contributors: Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Correlation Energy from the Adiabatic Connection Formalism for Complete Active Space Wave Functions

Journal of Chemical Theory and Computation
2018 | Journal article
DOI: 10.1021/acs.jctc.8b00213
EID:

2-s2.0-85047540593
Contributors: Pastorczak, E.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Efficient evaluation of electron correlation along the bond-dissociation coordinate in the ground and excited ionic states with dynamic correlation suppression and enhancement functions of the on-top pair density

Physical Review A
2018 | Journal article
DOI: 10.1103/PhysRevA.98.062510
EID:

2-s2.0-85058668139
Contributors: Gritsenko, O.V.; Van Meer, R.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Electron Correlation from the Adiabatic Connection for Multireference Wave Functions

Physical Review Letters
2018 | Journal article
DOI: 10.1103/PhysRevLett.120.013001
EID:

2-s2.0-85040118692
Contributors: Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Electronic Excited States from the Adiabatic-Connection Formalism with Complete Active Space Wave Functions

Journal of Physical Chemistry Letters
2018 | Journal article
DOI: 10.1021/acs.jpclett.8b02391
EID:

2-s2.0-85053618942
Contributors: Pastorczak, E.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Exact and approximate adiabatic connection formulae for the correlation energy in multireference ground and excited states

Journal of Chemical Physics
2018 | Journal article
DOI: 10.1063/1.5048988
EID:

2-s2.0-85057559854
Contributors: Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Molecular interactions in electron-groups embedding generalized valence bond picture

Theoretical Chemistry Accounts
2018 | Journal article
DOI: 10.1007/s00214-018-2378-x
EID:

2-s2.0-85056230972
Contributors: Pastorczak, E.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Multiple bond breaking with APSG-based correlation methods: comparison of two approaches

Theoretical Chemistry Accounts
2018 | Journal article
DOI: 10.1007/s00214-018-2355-4
EID:

2-s2.0-85056431437
Contributors: Margócsy, Á.; Kowalski, P.; Pernal, K.; Szabados, Á.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Second-Order Dispersion Energy Based on Multireference Description of Monomers

Journal of Chemical Theory and Computation
2018 | Journal article
DOI: 10.1021/acs.jctc.8b01058
EID:

2-s2.0-85059640749
Contributors: Hapka, M.; Przybytek, M.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Comment on "generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices"

Physical Review A
2017 | Journal article
DOI: 10.1103/PhysRevA.96.046501
EID:

2-s2.0-85032694116
Contributors: Piris, M.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Intricacies of van der Waals Interactions in Systems with Elongated Bonds Revealed by Electron-Groups Embedding and High-Level Coupled-Cluster Approaches

Journal of Chemical Theory and Computation
2017 | Journal article
DOI: 10.1021/acs.jctc.7b00797
EID:

2-s2.0-85034250469
Contributors: Pastorczak, E.; Shen, J.; Hapka, M.; Piecuch, P.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction

Journal of Chemical Physics
2016 | Journal article
DOI: 10.1063/1.4954694
EID:

2-s2.0-84977074248
Contributors: Chatterjee, K.; Pastorczak, E.; Jawulski, K.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

A road to a multiconfigurational ensemble density functional theory without ghost interactions

International Journal of Quantum Chemistry
2016 | Journal article
DOI: 10.1002/qua.25107
EID:

2-s2.0-84975760173
Contributors: Pastorczak, E.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches

Advances in Quantum Chemistry
2016 | Book
DOI: 10.1016/bs.aiq.2015.06.001
EID:

2-s2.0-84941711600
Contributors: Pernal, K.; Gidopoulos, N.I.; Pastorczak, E.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Reduced density matrix embedding. General formalism and inter-domain correlation functional

Physical Chemistry Chemical Physics
2016 | Journal article
DOI: 10.1039/c6cp00524a
EID:

2-s2.0-84981156251
Contributors: Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Reduced density matrix functional theory (RDMFT) and linear response time-dependent RDMFT (TD-RDMFT)

Topics in Current Chemistry
2016 | Book
DOI: 10.1007/128_2015_624
EID:

2-s2.0-84940421919
Contributors: Pernal, K.; Giesbertz, K.J.H.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

ERPA-APSG: A computationally efficient geminal-based method for accurate description of chemical systems

Physical Chemistry Chemical Physics
2015 | Journal article
DOI: 10.1039/c4cp05958a
EID:

2-s2.0-84961290536
Contributors: Pastorczak, E.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Excitation energies from time-dependent generalized valence bond method

Theoretical Chemistry Accounts
2015 | Journal article
DOI: 10.1007/s00214-015-1718-3
EID:

2-s2.0-84942313021
Contributors: Chatterjee, K.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Reduced density matrix functional theory (RDMFT) and linear response time-dependent RDMFT (TD-RDMFT)

Density-Functional Methods for Excited States
2015 | Book
Part of DOI: 10.1007/128_2015_624
EID:

2-s2.0-84955709487
Contributors: Pernal, K.; Giesbertz, K.J.H.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Turning reduced density matrix theory into a practical tool for studying the Mott transition

New Journal of Physics
2015 | Journal article
DOI: 10.1088/1367-2630/17/11/111001
EID:

2-s2.0-84951304259
Contributors: Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Ensemble density variational methods with self- and ghost-interaction- corrected functionals

Journal of Chemical Physics
2014 | Journal article
DOI: 10.1063/1.4866998
EID:

2-s2.0-84904804377
Contributors: Pastorczak, E.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Erratum: "how accurate is the strongly orthogonal geminal theory in predicting excitation energies? Comparison of the extended random phase approximation and the linear response theory approaches" [Journal of Chemical Physics 140, 014101 (2014)]

Journal of Chemical Physics
2014 | Journal article
DOI: 10.1063/1.4876720
EID:

2-s2.0-84904791096
Contributors: Pernal, K.; Chatterjee, K.; Kowalski, P.H.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

How accurate is the strongly orthogonal geminal theory in predicting excitation energies? Comparison of the extended random phase approximation and the linear response theory approaches

Journal of Chemical Physics
2014 | Journal article
DOI: 10.1063/1.4855275
EID:

2-s2.0-84891859195
Contributors: Pernal, K.; Chatterjee, K.; Kowalski, P.H.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Intergeminal correction to the antisymmetrized product of strongly orthogonal geminals derived from the extended random phase approximation

Journal of Chemical Theory and Computation
2014 | Journal article
DOI: 10.1021/ct500478t
EID:

2-s2.0-84907964008
Contributors: Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle

Physical Review A - Atomic, Molecular, and Optical Physics
2013 | Journal article
DOI: 10.1103/PhysRevA.87.062501
EID:

2-s2.0-84878841463
Contributors: Pastorczak, E.; Gidopoulos, N.I.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

The equivalence of the Piris Natural Orbital Functional 5 (PNOF5) and the antisymmetrized product of strongly orthogonal geminal theory

Computational and Theoretical Chemistry
2013 | Journal article
DOI: 10.1016/j.comptc.2012.08.022
EID:

2-s2.0-84871803713
Contributors: Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Excitation energies from extended random phase approximation employed with approximate one- and two-electron reduced density matrices

Journal of Chemical Physics
2012 | Journal article
DOI: 10.1063/1.4766934
EID:

2-s2.0-84870550197
Contributors: Chatterjee, K.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Excitation energies from range-separated time-dependent density and density matrix functional theory

Journal of Chemical Physics
2012 | Journal article
DOI: 10.1063/1.4712019
EID:

2-s2.0-84862881114
Contributors: Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Open-shell reduced density matrix functional theory

Journal of Chemical Physics
2011 | Journal article
DOI: 10.1063/1.3624609
EID:

2-s2.0-80052075364
Contributors: Rohr, D.R.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Combining density-functional theory and density-matrix-functional theory

Physical Review A - Atomic, Molecular, and Optical Physics
2010 | Journal article
DOI: 10.1103/PhysRevA.82.052502
EID:

2-s2.0-78649534864
Contributors: Rohr, D.R.; Toulouse, J.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Extension of the Hartree-Fock plus dispersion method by first-order correlation effects

Journal of Physical Chemistry Letters
2010 | Journal article
DOI: 10.1021/jz9002444
EID:

2-s2.0-77349102056
Contributors: Podeszwa, R.; Pernal, K.; Patkowski, K.; Szalewicz, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Long-range density-matrix-functional theory: Application to a modified homogeneous electron gas

Physical Review A - Atomic, Molecular, and Optical Physics
2010 | Journal article
DOI: 10.1103/PhysRevA.81.052511
EID:

2-s2.0-77953226742
Contributors: Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Dispersionless density functional theory

Physical Review Letters
2009 | Journal article
DOI: 10.1103/PhysRevLett.103.263201
EID:

2-s2.0-73649102108
Contributors: Pernal, K.; Podeszwa, R.; Patkowski, K.; Szalewicz, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems

Journal of Chemical Physics
2009 | Journal article
DOI: 10.1063/1.3079821
EID:

2-s2.0-63149107602
Contributors: Giesbertz, K.J.H.; Pernal, K.; Gritsenko, O.V.; Baerends, E.J.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Orbital-free effective embedding potential: Density-matrix functional theory case

International Journal of Quantum Chemistry
2009 | Journal article
DOI: 10.1002/qua.22016
EID:

2-s2.0-67649771676
Contributors: Pernal, K.; Wesolowski, T.A.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Third-order dispersion energy from response functions

Journal of Chemical Physics
2009 | Journal article
DOI: 10.1063/1.3058477
EID:

2-s2.0-58749108298
Contributors: Pernal, K.; Szalewicz, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

A density matrix functional with occupation number driven treatment of dynamical and nondynamical correlation

Journal of Chemical Physics
2008 | Journal article
DOI: 10.1063/1.2998201
EID:

2-s2.0-55349092975
Contributors: Rohr, D.R.; Pernal, K.; Gritsenko, O.V.; Baerends, E.J.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Projected gradient algorithms for Hartree-Fock and density matrix functional theory calculations

Journal of Chemical Physics
2008 | Journal article
DOI: 10.1063/1.2888550
EID:

2-s2.0-41849145339
Contributors: Canc̀s, E.; Pernal, K.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Adiabatic approximation of time-dependent density matrix functional response theory

Journal of Chemical Physics
2007 | Journal article
DOI: 10.1063/1.2800016
EID:

2-s2.0-36849037317
Contributors: Pernal, K.; Giesbertz, K.; Gritsenko, O.; Baerends, E.J.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Frequency-dependent response properties and excitation energies from one-electron density matrix functionals

Physical Chemistry Chemical Physics
2007 | Journal article
DOI: 10.1039/b704797e
EID:

2-s2.0-36249024745
Contributors: Pernal, K.; Cioslowski, J.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Time-dependent density-matrix-functional theory

Physical Review A - Atomic, Molecular, and Optical Physics
2007 | Journal article
DOI: 10.1103/PhysRevA.75.012506
EID:

2-s2.0-33846348550
Contributors: Pernal, K.; Gritsenko, O.; Baerends, E.J.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier

Coupled-perturbed density-matrix functional theory equations. Application to static polarizabilities

Journal of Chemical Physics
2006 | Journal article
DOI: 10.1063/1.2137325
EID:

2-s2.0-34547648029
Contributors: Pernal, K.; Baerends, E.J.
Source: Self-asserted source
Katarzyna Pernal via Scopus - Elsevier
Items per page:
Page 1 of 2

Peer review (31 reviews for 4 publications/grants)

Review activity for Chemical reviews. (1)
Review activity for Journal of chemical theory and computation : (21)
Review activity for The journal of physical chemistry letters. (4)
Review activity for The journal of physical chemistry. (5)
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