Noga *, Jozef: search on Z-Library

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1

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

Jozef Noga, Rodney J. Bartlett, Miroslav Urban

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 555 KB

english, 1987

2

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

Rodney J. Bartlett, Stanislaw A. Kucharski, Jozef Noga

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 553 KB

english, 1989

3

Basis-set convergence of correlated calculations on water

Helgaker, Trygve, Klopper, Wim, Koch, Henrik, Noga, Jozef

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 417 KB

english, 1997

4

Optimised Thouless expansion second-order Møller–Plesset theory

Šimunek, Ján, Noga, Jozef

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 704 KB

english, 2013

5

Towards a full CCSDT model for electron correlation

Urban, Miroslav, Noga, Jozef, Cole, Samuel J., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1985

Language:

english

File:

PDF, 698 KB

english, 1985

6

The full CCSDT model for molecular electronic structure

Noga, Jozef, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 980 KB

english, 1987

7

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

Demel, Ondřej, Kedžuch, Stanislav, Noga, Jozef, Pittner, Jiří

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 453 KB

english, 2013

8

The first year operation experience with Ion Beam Analysis at the new STU Ion Beam Laboratory

Dobrovodský, Jozef, Beňo, Matúš, Vaňa, Dušan, Bezák, Pavol, Noga, Pavol

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2018

Language:

english

File:

PDF, 4.22 MB

english, 2018

9

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

Noga, Jozef, Ba?ack�, Pavol, Biskupi?, Stanislav, Bo?a, Roman, Pelik�n, Peter, Svr?ek, Michal, Zajac, Anton

Journal:

Journal of Computational Chemistry

Year:

1999

Language:

english

File:

PDF, 214 KB

english, 1999

10

Accurate Quantum-Chemical Prediction of Enthalpies of Formation of Small Molecules in the Gas Phase

Wim Klopper, Jozef Noga

Journal:

Year:

2003

Language:

english

File:

PDF, 541 KB

english, 2003

11

Convergence of third order correlation energy in atoms and molecules

Kalju Kahn, Alex A. Granovsky, Jozef Noga

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 274 KB

english, 2007

12

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

Alexander Baldes, Wim Klopper, Ján Šimunek, Jozef Noga, Florian Weigend

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 115 KB

english, 2011

13

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

Miroslav Urban, Vladimir Kellö, Ivan Černušák, Jozef Noga, Geerd H.F. Diercksen

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 600 KB

english, 1987

14

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

Vladimir Kellö, Jozef Noga, Geerd H.F. Diercksen, Andrzej J. Sadlej

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 517 KB

english, 1988

15

The expectation value coupled-cluster method and analytical energy derivatives

Rodney J. Bartlett, Jozef Noga

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 743 KB

english, 1988

16

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

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

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 541 KB

english, 1988

17

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

Ivan Černušaḱ, Jozef Noga, Geerd H.F. Diercksen, Andrzej J. Sadlej

Journal:

Chemical Physics

Year:

1988

Language:

english

File:

PDF, 568 KB

english, 1988

18

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

Jozef Noga, Ján Šimunek

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 177 KB

english, 2009

19

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

Miroslav Medved’, Jozef Noga, Denis Jacquemin, Xavier Assfeld, Eric. A. Perpète

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 137 KB

english, 2007

20

Explicitly correlated R12 coupled cluster calculations for open shell systems

Jozef Noga, Pierre Valiron

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 101 KB

english, 2000

21

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

Pierre Valiron, Stanislav Kedžuch, Jozef Noga

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 193 KB

english, 2003

22

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

Jozef Noga, Tadeusz Pluta

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 513 KB

english, 1997

23

Basis set limit value for the static dipole polarizability of beryllium

Daniel Tunega, Jozef Noga, Wim Klopper

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 435 KB

english, 1997

24

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

Peter Pelikán, Jozef Noga, Stanislav Biskupič

Journal:

Journal of Solid State Chemistry

Year:

2003

Language:

english

File:

PDF, 735 KB

english, 2003

25

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

Miroslav Medveď, Jozef Noga, Denis Jacquemin, Eric A. Perpète

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 153 KB

english, 2005

26

Alternative formulation of the matrix elements in MP2-R12 theory

Stanislav Kedžuch, Matúš Milko, Jozef Noga

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 122 KB

english, 2005

27

Preface

Ivan Černušák, Jozef Noga

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 37 KB

english, 2007

28

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

Matúš Milko, Jozef Noga, Štefan Varga

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 298 KB

english, 2007

29

Proton affinity and enthalpy of formation of formaldehyde

Gábor Czakó, Balázs Nagy, Gyula Tasi, Árpád Somogyi, Ján Šimunek, Jozef Noga, Bastiaan J. Braams, Joel M. Bowman, Attila G. Császár,

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 177 KB

english, 2009

30

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

Tadeusz Pluta, Jozef Noga, Rodney J. Bartlett

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 853 KB

english, 1994

31

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

Jozef Noga, Miroslav Urban

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1988

Language:

english

File:

PDF, 820 KB

english, 1988

32

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

Jozef Noga, Miroslav Urban, Vladimír Kellö, Ivan Hubač

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1981

Language:

english

File:

PDF, 495 KB

english, 1981

33

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

Miroslav Urban, Jozef Noga, Vladimír Kellö

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1983

Language:

english

File:

PDF, 716 KB

english, 1983

34

Direct evaluation of one-electron properties in coupled cluster methods

Miroslav Urban, Geerd H. F. Diercksen, Andrzej J. Sadlej, Jozef Noga

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1990

Language:

english

File:

PDF, 479 KB

english, 1990

35

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

Wim Klopper, Jozef Noga, Henrik Koch, Trygve Helgaker

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1997

Language:

english

File:

PDF, 473 KB

english, 1997

36

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

Miroslav Medveď, Miroslav Urban, Jozef Noga

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1997

Language:

english

File:

PDF, 524 KB

english, 1997

37

Static electric properties of LiH: explicitly correlated coupled cluster calculations

Daniel Tunega, Jozef Noga

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1998

Language:

english

File:

PDF, 115 KB

english, 1998

38

Explicitly correlated coupled cluster F12 theory with single and double excitations

Noga, Jozef, Kedžuch, Stanislav, Šimunek, Ján, Ten-no, Seiichiro

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 653 KB

english, 2008

39

Explicitly correlated electronic structure theory from R12/F12 ansätze

Seiichiro Ten-no, Jozef Noga

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2012

Language:

english

File:

PDF, 202 KB

english, 2012

40

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

Stanislav Kedžuch, Ondřej Demel, Jiří Pittner, Seiichiro Ten-no, Jozef Noga

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 396 KB

english, 2011

41

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

Klopper, Wim, Noga, Jozef

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 344 KB

english, 1995

42

AIP Conference Proceedings [AIP INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009: (ICCMSE 2009) - Rhodes, Greece (29 September–4 October 2009)] - Anharmonic vibrational analysis of water at CCSD(T) level: Comparison of traditional and explicitly correlated methods

Kahn, Kalju, Kirtman, Bernard, Noga, Jozef, Ten-no, Seiichiro

Year:

2012

Language:

english

File:

PDF, 873 KB

english, 2012

43

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

Noga, Jozef, Kutzelnigg, Werner

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.99 MB

english, 1994

44

AIP Conference Proceedings [AIP INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009: (ICCMSE 2009) - Rhodes, Greece (29 September–4 October 2009)] - Hartree-Fock via variational coupled cluster theory: An alternative way to diagonalization free algorithm

Šimunek, Ján, Noga, Jozef

Year:

2012

Language:

english

File:

PDF, 977 KB

english, 2012

45

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

Rajamäki †, Timo, Kállay, Mihály, Noga, Jozef, Valiron, Pierre, Halonen *, Lauri

Journal:

Molecular Physics

Year:

2004

Language:

english

File:

PDF, 345 KB

english, 2004

46

Universal R12 suited basis sets for atoms from lithium to fluorine

Kedžuch, Stanislav, Noga *, Jozef, Valiron, Pierre

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 158 KB

english, 2005

47

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

Sosa, Carlos, Noga, Jozef, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 399 KB

english, 1988

48

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

Čársky, Petr, Bartlett, Rodney J., Fitzgerald, George, Noga, Jozef, Špirko, Vladimír

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 693 KB

english, 1988

49

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

Noga, Jozef, Šimunek, Ján

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 112 KB

english, 2010

50

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

Gregušová, Adriana, Varga, Štefan, Černušák, Ivan, Noga, Jozef

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 114 KB

english, 2002