Publications by authors named "Jozef Noga"

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Explicitly correlated geminal-based perturbation theory.
Zsuzsanna É Mihálka, Jozef Noga

J Chem Phys· September 2025

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Is It Worth Running the Hartree-Fock Calculations With Localized Molecular Orbitals Within the Framework of Variational Coupled Cluster Singles Theory?
Ján Šimunek, Jozef Noga

J Comput Chem· March 2025

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The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals.
Debora Misenkova, Florian Lemken, Michal Repisky, Jozef Noga, Olga L Malkina

J Chem Phys· October 2022

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A free boratriptycene-type Lewis superacid.
Marcel Henkelmann, Andreas Omlor, Michael Bolte, Volker Schünemann, Hans-Wolfram Lerner, Jozef Noga

Chem Sci· February 2022

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Doubly Occupied Pair Coupled Cluster F12 Approach.
Stanislav Kedžuch, Ján Šimunek, Matej Veis, Jozef Noga

J Chem Theory Comput· December 2020

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Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme.
Marcela Hrdá, Tomáš Kulich, Michal Repiský, Jozef Noga, Olga L Malkina

J Comput Chem· September 2014

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An explicitly correlated Mukherjee's state specific coupled cluster method: development and pilot applications.
Ondřej Demel, Stanislav Kedžuch, Matej Švaňa, Seiichiro Ten-no, Jiří Pittner, Jozef Noga

Phys Chem Chem Phys· April 2012

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Acceleration of self-consistent-field convergence by combining conventional diagonalization and a diagonalization-free procedure.
Alexander Baldes, Wim Klopper, Ján Simunek, Jozef Noga, Florian Weigend

J Comput Chem· November 2011

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Communication: convergence of anharmonic infrared intensities of hydrogen fluoride in traditional and explicitly correlated coupled cluster calculations.
Kalju Kahn, Bernard Kirtman, Alexander Hagen, Jozef Noga

J Chem Phys· October 2011

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Solving the Independent-Particle Model via Nonunitary Transformation Based on Variational Coupled Cluster Singles.
Jozef Noga, Ján Šimunek

J Chem Theory Comput· September 2010

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Anharmonic vibrational analysis of water with traditional and explicitly correlated coupled cluster methods.
Kalju Kahn, Bernard Kirtman, Jozef Noga, Seiichiro Ten-No

J Chem Phys· August 2010

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R12-calibrated H2O-H2 interaction: full dimensional and vibrationally averaged potential energy surfaces.
Pierre Valiron, Michael Wernli, Alexandre Faure, Laurent Wiesenfeld, Claire Rist, Jozef Noga

J Chem Phys· October 2008

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Implementation of the CCSD(T)-F12 method using cusp conditions.
Denis Bokhan, Seiichiro Ten-no, Jozef Noga

Phys Chem Chem Phys· June 2008

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Explicitly correlated coupled cluster F12 theory with single and double excitations.
Jozef Noga, Stanislav Kedzuch, Ján Simunek, Seiichiro Ten-No

J Chem Phys· May 2008

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Second order explicitly correlated R12 theory revisited: a second quantization framework for treatment of the operators' partitionings.
Jozef Noga, Stanislav Kedzuch, Ján Simunek

J Chem Phys· July 2007

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Convergence of third order correlation energy in atoms and molecules.
Kalju Kahn, Alex A Granovsky, Jozef Noga

J Comput Chem· January 2007

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Density fitting of two-electron integrals in extended systems with translational periodicity: the Coulomb problem.
Stefan Varga, Matús Milko, Jozef Noga

J Chem Phys· January 2006

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Accurate quantum-chemical prediction of enthalpies of formation of small molecules in the gas phase.
Wim Klopper, Jozef Noga

Chemphyschem· January 2003

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