Publications by authors named "OV Gritsenko"

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Acute myocardial infarction complicated by cardiogenic shock in Ukraine: multicentre registry analysis 2021-2022.
Anton O Bilchenko, Olga V Gritsenko, Volodymir O Kolisnyk, Oleg I Rafalyuk, Andrii V Pyzhevskii

Front Cardiovasc Med· March 2024

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[The role of epicardial obesity in the development of left ventricular diastolic dysfunction].
O V Gritsenko, G A Chumakova, E V Trubina

Kardiologiia· July 2023

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Embracing local suppression and enhancement of dynamic correlation effects in a CASΠDFT method for efficient description of excited states.
Katarzyna Pernal, Oleg V Gritsenko

Faraday Discuss· December 2020

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Local Enhancement of Dynamic Correlation in Excited States: Fresh Perspective on Ionicity and Development of Correlation Density Functional Approximation Based on the On-Top Pair Density.
Michał Hapka, Katarzyna Pernal, Oleg V Gritsenko

J Phys Chem Lett· August 2020

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[Extracellular matrix of the heart and its changes in myocardial fibrosis].
O V Gritsenko, G A Chumakova, I V Shevlyakov, N G Veselovskaya

Kardiologiia· July 2020

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Molecular multibond dissociation with small complete active space augmented by correlation density functionals.
Michał Hapka, Katarzyna Pernal, Oleg V Gritsenko

J Chem Phys· May 2020

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Reproducing benchmark potential energy curves of molecular bond dissociation with small complete active space aided with density and density-matrix functional corrections.
Katarzyna Pernal, Oleg V Gritsenko, Robert van Meer

J Chem Phys· October 2019

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Complete active space and corrected density functional theories helping each other to describe vertical electronic π → π excitations in prototype multiple-bonded molecules.
Oleg V Gritsenko, Katarzyna Pernal

J Chem Phys· July 2019

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A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions.
R van Meer, O V Gritsenko, E J Baerends

J Chem Phys· March 2018

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Natural excitation orbitals from linear response theories: Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory.
R van Meer, O V Gritsenko, E J Baerends

J Chem Phys· January 2017

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Time-dependent Dyson orbital theory.
O V Gritsenko, E J Baerends

Phys Chem Chem Phys· August 2016

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On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies.
O V Gritsenko, Ł M Mentel, E J Baerends

J Chem Phys· May 2016

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Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.
R van Meer, O V Gritsenko, E J Baerends

J Chem Theory Comput· October 2014

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The density matrix functional approach to electron correlation: dynamic and nondynamic correlation along the full dissociation coordinate.
Ł M Mentel, R van Meer, O V Gritsenko, E J Baerends

J Chem Phys· June 2014

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Response calculations based on an independent particle system with the exact one-particle density matrix: polarizabilities.
K J H Giesbertz, O V Gritsenko, E J Baerends

J Chem Phys· May 2014

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Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems.
R van Meer, O V Gritsenko, E J Baerends

J Chem Phys· January 2014

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The Kohn-Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn-Sham orbital energies.
E J Baerends, O V Gritsenko, R van Meer

Phys Chem Chem Phys· October 2013

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[Epicardial adiposity as risk factor of coronary atherosclerosis].
G A Chumakova, N G Veselovskaia, O V Gritsenko, A A Kozarenko, E A Subbotin

Kardiologiia· July 2013

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A natural orbital analysis of the long range behavior of chemical bonding and van der Waals interaction in singlet H2: the issue of zero natural orbital occupation numbers.
X W Sheng, Ł M Mentel, O V Gritsenko, E J Baerends

J Chem Phys· April 2013

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Oscillator strengths of electronic excitations with response theory using phase including natural orbital functionals.
R van Meer, O V Gritsenko, K J H Giesbertz, E J Baerends

J Chem Phys· March 2013

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On the formulation of a density matrix functional for Van der Waals interaction of like- and opposite-spin electrons in the helium dimer.
Ł M Mentel, X W Sheng, O V Gritsenko, E J Baerends

J Chem Phys· November 2012

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Response calculations based on an independent particle system with the exact one-particle density matrix: excitation energies.
K J H Giesbertz, O V Gritsenko, E J Baerends

J Chem Phys· March 2012

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Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long range.
Xiao Wei Sheng, Lukasz Mentel, Oleg V Gritsenko, Evert Jan Baerends

J Comput Chem· October 2011

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The adiabatic approximation in time-dependent density matrix functional theory: response properties from dynamics of phase-including natural orbitals.
K J H Giesbertz, O V Gritsenko, E J Baerends

J Chem Phys· November 2010

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Response calculations with an independent particle system with an exact one-particle density matrix.
K J H Giesbertz, O V Gritsenko, E J Baerends

Phys Rev Lett· July 2010

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