J. Noga

发表

The full CCSDT model for molecular electronic structure

R. Bartlett, J. Noga, 1987 .

Towards a full CCSDT model for electron correlation

S. J. Cole, R. Bartlett, J. Noga, 1985 .

Basis-set convergence of correlated calculations on water

Trygve Helgaker, Wim Klopper, Henrik Koch, 1997 .

On the structural and electronic properties of poly(dicarbon monofluoride): solid-state semi-empirical INDO study

J. Noga, P. Pelikán, S. Biskupic, 2003 .

The Structure and Properties of Graphite Monofluoride Using the Three-Dimensional Cyclic Cluster Approach

J. Noga, M. Straka, J. Minár, 2000 .

Perturbative triples correction for explicitly correlated Mukherjee’s state-specific coupled cluster method

J. Noga, J. Pittner, Ondřej Demel, 2013 .

Doubly-occupied pair coupled cluster F12 approach.

J. Noga, M. Veis, J. Šimunek, 2020, Journal of chemical theory and computation.

Multireference F12 coupled cluster theory: The Brillouin-Wigner approach with single and double excitations

J. Noga, S. Ten-no, J. Pittner, 2011 .

Extremal Electron Pairs — Application to Electron Correlation, Especially the R12 Method

J. Noga, W. Kutzelnigg, W. Klopper, 1999 .

Accuracy of density fitting in calculation of two-electron repulsion integrals in periodic systems

J. Noga, Matúš Milko, Š. Varga, 2007 .

Alternative formulation of the matrix elements in MP2‐R12 theory

J. Noga, Stanislav Kedžuch, Matúš Milko, 2005 .

Multireference R12 Coupled Cluster Theory

J. Noga, J. Pittner, Ondřej Demel, 2010 .

CCSD(T) expectation value calculations of first-order properties

J. Noga, M. Urban, M. Medved’, 1997 .

Towards the full coupled-cluster model with triples: a retrospective after 25 years

J. Noga, M. Urban, 2010 .

Second-order BSSE-free perturbation theory: intermolecular interactions within supermolecular approach

J. Noga, Á. Vibók, 1991 .

Structural and spectral properties of tartrato complexes of vanadium(V) from quantum chemical calculations

J. Noga, J. Šimunek, L. Krivosudský, 2015, Theoretical Chemistry Accounts.

A MRCC study of the isomerisation of cyclopropane

J. Noga, K. Kowalski, J. Pittner, 2017 .

Correlation and Localization

D. L. Cooper, N. H. March, P. Mezey, 1999 .

On the structure and stability of cyclic cyanoborane isomers

J. Noga, O. Malkina, I. Černušák, 2003 .

Influence of a new potential energy surface on the rotational (de)excitation of H2O by H2 at low temperature

J. Noga, J. Tennyson, M. Dubernet, 2006 .

Communication: convergence of anharmonic infrared intensities of hydrogen fluoride in traditional and explicitly correlated coupled cluster calculations.

J. Noga, B. Kirtman, K. Kahn, 2011, The Journal of chemical physics.

Electronic Structure of Single-Wall Silicon Nanotubes and Silicon Nanoribbons: Helical Symmetry Treatment and Effect of Dimensionality

J. Noga, P. Baňacký, V. Szőcs, 2012, 1209.6519.

Exploring alternative approaches to improve the convergence pattern in solving the coupled-cluster equations

J. Noga, Zsuzsanna É. Mihálka, 2022, Molecular Physics.

Erratum: “The accuracy of atomization energies from explicitly correlated coupled-cluster calculations” [J. Chem. Phys. 115, 2022 (2001)]

J. Noga, W. Klopper, P. Valiron, 2001 .

[Ni(bpy)(mal)(H2O)3]·H2O and [Ni(4,4′-dmbpy)(mal)(H2O)3]·1.5H2O: syntheses, crystal structures, magnetic properties, and computational study of stacking interactions

J. Noga, M. Pitoňák, A. Orendáčová, 2017 .

Anharmonic force field, vibrational energies, and barrier to inversion of SiH3−

W. D. Allen, H. Schaefer, J. Noga, 2000 .

R12-calibrated H2O-H2 interaction: full dimensional and vibrationally averaged potential energy surfaces.

J. Noga, L. Wiesenfeld, A. Faure, 2008, The Journal of chemical physics.

Correlation effects and bond-correlation energies in the series of molecules including C1 to C4 hydrocarbons. Fourth-order MB-RSPT (many-body Rayleigh-Schroedinger perturbation theory) calculations

G. Diercksen, J. Noga, M. Urban, 1984 .

Electron Correlation in Molecules

Miroslav Urban, Jozef Noga, J. Noga, 1987 .

Ab initio calculations on the energy of activation and tunneling in the automerization of cyclobutadiene

R. Bartlett, J. Noga, G. Fitzgerald, 1988 .

Can the coupled cluster method improve many-body perturbation theory reaction energies significantly? the H2CO → H2 + CO reaction

G. Diercksen, J. Noga, M. Urban, 1987 .

Towards a full CCSDT model for electron correlation. CCSDT-n models

R. Bartlett, J. Noga, M. Urban, 1987 .

Synthesis, crystal structure, spectral characterization, and theoretical study of glycolato peroxido complexes of vanadium(V)

J. Noga, R. Gyepes, J. Šimunek, 2016, Structural Chemistry.

Determination of higher electric polarizability tensors from unrelaxed coupled cluster density matrix calculations of electric multipole moments

R. Bartlett, J. Noga, T. Pluta, 1994 .

Degradation of Al4C3 Due to Atmospheric Humidity

J. Noga, E. Šimon, P. Billik, 2018, JOM.

Accurate quantum-chemical prediction of enthalpies of formation of small molecules in the gas phase.

J. Noga, W. Klopper, 2003, Chemphyschem : a European journal of chemical physics and physical chemistry.

Electron structure of polysilanes. Are these polymers one-dimensional systems?

J. Noga, M. Straka, P. Pelikán, 2001 .

Erratum: The full CCSDT model for molecular electronic structure [J. Chem. Phys. 86, 7041 (1987)]

Rodney J. Bartlett, Jozef Noga, R. Bartlett, 1988 .

Calculation of the fourth-order triple-excitation contribution to MB RSPT by using spatial symmetry properties of molecules

J. Noga, 1983 .

The fourth order diagrammatic MB‐RSPT calculations of the correlation energy of ten electron systems

J. Noga, M. Urban, V. Kellö, 1980 .

Proton Affinity and Enthalpy of Formation of Formaldehyde

J. Noga, B. Braams, J. Bowman, 2009 .

CH5+ : THE STORY GOES ON. AN EXPLICITLY CORRELATED COUPLED-CLUSTER STUDY

J. Noga, W. Kutzelnigg, W. Klopper, 1997 .

Non-iterative fifth-order triple and quadruple excitation energy corrections in correlated methods

John D. Watts, Rodney J. Bartlett, Jozef Noga, 1990 .

Use of molecular symmetry in coupled‐cluster theory

L. J. Schaad, J. Noga, B. A. Hess, 1987 .

An explicitly correlated coupled cluster calculation of the helium–helium interatomic potential

J. Noga, W. Klopper, 1995 .

Longitudinal NLO properties of C2H2, HCCF, and C2F2: Electron correlation and vibration effects

J. Noga, D. Jacquemin, E. Perpète, 2005 .

Fifth‐order many‐body perturbation theory for molecular correlation energies

R. Bartlett, S. Kucharski, J. Noga, 1989 .

Alternative coupled-cluster ansätze II. The unitary coupled-cluster method

Rodney J. Bartlett, Jozef Noga, R. Bartlett, 1989 .

Some Consideration of Alternative Ansätz in Coupled-Cluster Theory

John D. Watts, Rodney J. Bartlett, Jozef Noga, 1989 .

On the Use of Connected Moments Expansion with Coupled Cluster Reference

J. Noga, P. Surján, Á. Szabados, 2002 .

Optimised Thouless expansion second-order Møller–Plesset theory

J. Noga, J. Šimunek, 2013 .

Introducing explicitly correlated coupled cluster approaches into the world of astrophysics

J. Noga, 2012 .

Inversion levels of H3O+ as a probe for the basis set convergence in traditional and explicitly correlated coupled-cluster calculations

J. Noga, P. Valiron, Lauri Halonen *, 2004 .

Implementation of the CCSD(T)-F12 method using cusp conditions.

J. Noga, S. Ten-no, Denis Bokhan, 2008, Physical chemistry chemical physics : PCCP.

Convergence of the coupled-cluster singles, doubles and triples method

Rodney J. Bartlett, Jozef Noga, Gary W. Trucks, 1988 .

Coupled Cluster Approach for Molecular Electronic Structure: an Elementary Introduction

J. Noga, 2003 .

Solving the Independent-Particle Model via Nonunitary Transformation Based on Variational Coupled Cluster Singles.

J. Noga, J. Šimunek, 2010, Journal of chemical theory and computation.

Parallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integrals

Pavel Hobza, Francesco Aquilante, Miroslav Urban, 2011 .

Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates

J. Noga, W. Kutzelnigg, 1994 .

Aspects of strong electron–phonon coupling in superconductivity of compressed metal hydrides MH6 (M = Mg, Ca, Sc, Y) with Im-3m structure

J. Noga, P. Baňacký, 2021, Journal of Applied Physics.

Electric properties of cyanoborane isomers

J. Noga, I. Černušák, M. Medved’, 2005 .

Static electrical response properties of F−, Ne, and HF using explicitly correlated R12 coupled cluster approach

J. Noga, R. Franke, H. Müller, 2001 .

A study of the Be2 potential curve using the full (CCSDT) coupled‐cluster method: The importance of T4 clusters

R. Bartlett, J. Noga, C. Sosa, 1988 .

Fourth-order MB-RSPT calculations of the spectroscopic constants and potential energy curve of F2

J. Noga, M. Urban, V. Kellö, 1983 .

Anharmonic vibrational analysis of water with traditional and explicitly correlated coupled cluster methods.

J. Noga, S. Ten-no, B. Kirtman, 2010, The Journal of chemical physics.

Explicitly correlated coupled cluster F12 theory with single and double excitations.

J. Noga, S. Ten-no, J. Šimunek, 2008, The Journal of chemical physics.

NLO responses of small polymethineimine oligomers: A CCSD(T) study

J. Noga, X. Assfeld, D. Jacquemin, 2007 .

On the role of high excitations in the intermolecular potential of H2–CO

J. Noga, Mihály Kállay, P. Valiron, 2006 .

High excitations in coupled-cluster series: vibrational energy levels of ammonia

J. Noga, Mihály Kállay, P. Valiron, 2004 .

Linear R12 Terms in Coupled Cluster Theory

J. Noga, W. Klopper, 2003 .

The accuracy of atomization energies from explicitly correlated coupled-cluster calculations

J. Noga, W. Klopper, P. Valiron, 2001 .

A CCSD(T)-R12 study of the ten-electron systems Ne, F-, HF, H2O, NH3, NH4+ and CH4

J. Noga, W. Kutzelnigg, H. Müller, 1997 .

Basis set limit value for the static dipole polarizability of beryllium

J. Noga, W. Klopper, D. Tunega, 1997 .

Coupled cluster calculations of the electric properties of BeS. An analysis of the fifth-order non-iterative corrections

J. Noga, T. Pluta, 1997 .

The performance of the explicitly correlated coupled cluster method. I. The four‐electron systems Be, Li−, and LiH

J. Noga, W. Kutzelnigg, W. Klopper, 1995 .

Triple and quadruple excitation contributions to the binding in Be clusters: Calibration calculations on Be3

Alistair P. Rendell, R. Bartlett, J. Noga, 1990 .

Analytic many-body perturbation theory MBPT(4) response properties

R. Bartlett, J. Noga, G. Trucks, 1988 .

Density fitting of two-electron integrals in extended systems with translational periodicity: the Coulomb problem.

Jozef Noga, J. Noga, Stefan Varga, 2006, The Journal of chemical physics.

Toward possibility of high-temperature bipolaronic superconductivity in boron tubular polymorph: Theoretical aspects of transition into anti-adiabatic state

J. Noga, P. Baňacký, V. Szőcs, 2012, 1204.2399.

Acceleration of self‐consistent‐field convergence by combining conventional diagonalization and a diagonalization‐free procedure

Florian Weigend, Jozef Noga, Alexander Baldes, 2011, J. Comput. Chem..

Multiple basis sets in calculations of triples corrections in coupled-cluster theory

Trygve Helgaker, Wim Klopper, Henrik Koch, 1997 .

Cyclic Cluster Approach to Three-Dimensional Solids: Quasi-Rrelativistic INDO Treatment

Jozef Noga, J. Noga, P. Pelikán, 2000 .

Direct evaluation of one-electron properties in coupled cluster methods

G. Diercksen, J. Noga, M. Urban, 1990 .

Convergence of third order correlation energy in atoms and molecules

Kalju Kahn, Alex A. Granovsky, Jozef Noga, 2007, J. Comput. Chem..

Approaching bulk limit for three‐dimensional solids via the cyclic cluster approximation: Semiempirical INDO study

Roman Boča, Peter Pelikán, Jozef Noga, 1999 .

The expectation value coupled-cluster method and analytical energy derivatives☆

Rodney J. Bartlett, Jozef Noga, R. Bartlett, 1988 .

Explicitly correlated electronic structure theory from R12/F12 ansätze

Seiichiro Ten-no, Jozef Noga, J. Noga, 2012 .

An application of the full CCSDT coupled-cluster method to potential energy curves: The CH4→CH3+H dissociation

R. Bartlett, J. Noga, G. D. Purvis, 1988 .

Ab Initio Study of Hydrogen Cyanide Borane(1) Polymer and Its Dehydrogenated Analog

J. Noga, I. Černušák, Adriana Gregušová, 2002 .

Second order explicitly correlated R12 theory revisited: a second quantization framework for treatment of the operators' partitionings.

J. Noga, J. Šimunek, Stanislav Kedžuch, 2007, The Journal of chemical physics.

Large diameter multiwall nanotubes of MgB2: Structural aspects and stability of superconducting nanotubular magnesium boride

J. Noga, V. Szöcs, P. Baňacký, 2014, 1412.8637.

Structural aspects and stability of superconducting nanotubular magnesium boride: Large diameter multiwall nanotubes of MgB2

J. Noga, V. Szöcs, P. Baňacký, 2014 .

Dipole moment of IF and other interhalogen molecules

R. Bartlett, S. Kucharski, J. Noga, 1988 .

On the one-particle basis set relaxation in R12 based theories

J. Noga, J. Šimunek, 2009 .

On expectation value calculations of one-electron properties using the coupled cluster wave functions

J. Noga, M. Urban, 1988 .

Explicitly Correlated Coupled Cluster R12 Calculations

Jozef Noga, Pierre Valiron, J. Noga, 2002 .

Towards Universal R12 Consistent Basis Sets

J. Noga, P. Valiron, 2003 .

Implementation of the diagonalization‐free algorithm in the self‐consistent field procedure within the four‐component relativistic scheme

Olga L. Malkina, Vladimir G. Malkin, Jozef Noga, 2014, J. Comput. Chem..

An explicitly correlated Mukherjee's state specific coupled cluster method: development and pilot applications.

Seiichiro Ten-no, Jiří Pittner, Jozef Noga, 2012, Physical chemistry chemical physics : PCCP.

Adiabatic correction to the energy of molecular systems: the CPHF equivalent of the Born–Handy formula

J. Noga, P. Pelikán, S. Biskupic, 1999 .

A study of the performance of high-level correlated methods: The energy, dipole moment, and polarizability functions of CO

G. Diercksen, J. Noga, V. Kellö, 1988 .

CC-R12: AN Explicitly Correlated Coupled-Cluster Theory

Wim Klopper, Jozef Noga, Werner Kutzelnigg, 1997 .

This paper is published as part of a PCCP Themed Issue on: Explicit-r12 Correlation Methods and Local Correlation Methods

G. Scuseria, J. Noga, S. Ten-no, 2008 .

Dipole polarizability and second hyperpolarizability of difluoroacetylene: Basis set dependence and electron correlation effects

Benoît Champagne, Jozef Noga, Eric A. Perpète, 2004, J. Comput. Methods Sci. Eng..

Solving the Independent-Particle Model via Nonunitary Transformation Based on Variational Coupled Cluster Singles.

J. Noga, J. Šimunek, 2010, Journal of chemical theory and computation.

Erratum: Towards a full CCSDT model for electron correlation [J. Chem. Phys. 83, 4041 (1985)]

S. J. Cole, R. Bartlett, J. Noga, 1986 .

Fourth-order diagrammatic MB-RSPT calculations of the interaction energy between two helium atoms

J. Noga, M. Urban, V. Kellö, 1981 .

A study of the reliability of different many-body methods: Potential energy curve for the ground state of Be2

G. Diercksen, J. Noga, I. Černušák, 1988 .

Avoiding numerical instabilities in R12 calculations through universal R12 consistent basis sets

J. Noga, P. Valiron, Stanislav Kedžuch, 2003 .

Explicitly correlated R12 coupled cluster calculations for open shell systems

J. Noga, P. Valiron, 2000 .

A coupled‐cluster method that includes connected quadruple excitations

R. Bartlett, S. Kucharski, J. Noga, 1989 .