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51

Relativistic effects on electric properties of many-electron systems in spin-averaged Douglas–Kroll and Pauli approximations

Kellö, Vladimir, Sadlej, Andrzej J., Hess, Bernd A.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 304 KB

english, 1996

52

Off-Center Gaussian Functions, an Alternative Atomic Orbital Basis Set for Accurate Noncovalent Interaction Calculations of Large Systems

Melicherčík, Miroslav, Pitoňák, Michal, Kellö, Vladimír, Hobza, Pavel, Neogrády, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.90 MB

english, 2013

53

Relativistic effects in atomic and molecular properties

Iliaš, Miroslav, Kellö, Vladimír, Urban, Miroslav

Journal:

Acta Physica Slovaca Reviews and Tutorials

Year:

2010

Language:

english

File:

PDF, 2.73 MB

english, 2010

54

Theoretical study of molecular properties of low-lying electronic excited states of H 2 O and H 2 S

Páleníková, Jana, Kraus, Michal, Neogrády, Pavel, Kellö, Vladimir, Urban, Miroslav

Journal:

Molecular Physics

Year:

2008

Language:

english

File:

PDF, 175 KB

english, 2008

55

Electron correlation and relativistic effects in electric properties of the alkali metal fluorides

MIADOKOVÁ, INGRID, KELLÖ, VLADIMIR, SADLEJ, ANDRZEJ J.

Journal:

Molecular Physics

Year:

1999

Language:

english

File:

PDF, 966 KB

english, 1999

56

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

Kello, Vladimir, Urban, M., Noga, J., Diercksen, G. H. F.

Journal:

Journal of the American Chemical Society

Year:

1984

Language:

english

File:

PDF, 1.03 MB

english, 1984

57

The nuclear quadrupole moment of 73 Ge from molecular microwave data

KELLÖ, VLADIMIR, SADLEJ, ANDRZEJ J.

Journal:

Molecular Physics

Year:

1999

Language:

english

File:

PDF, 725 KB

english, 1999

58

Determination of the quadrupole moment of the halogen nuclei (Cl,Br,I) from molecular data

KELLO, VLADIMIR

Journal:

Molecular Physics

Year:

1996

Language:

english

File:

PDF, 232 KB

english, 1996

59

Quadrupole moments of CuH, AgH, and AuH. A study of the electron correlation and relativistic effects

Kellö, Vladimir, Sadlej, Andrzej J.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 807 KB

english, 1991

60

Estimates of relativistic contributions to molecular properties

Kellö, Vladimir, Sadlej, Andrzej J.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 1.15 MB

english, 1990

61

Perturbation theory of the electron correlation effects for atomic and molecular properties. VII. Complete fourth-order MBPT study of the dipole moment and dipole polarizability of H2O

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

Journal:

The Journal of Chemical Physics

Year:

1983

Language:

english

File:

PDF, 727 KB

english, 1983

62

Electron-correlation and relativistic contributions to atomic dipole polarizabilities: Alkali-metal atoms

Kellö, Vladimir, Sadlej, Andrzej J., Faegri, Knut

Journal:

Physical Review A

Year:

1993

Language:

english

File:

PDF, 408 KB

english, 1993

63

Electron correlation and relativistic effects in the coinage metal compounds. II. Heteronuclear dimers: CuAg, CuAu, and AgAu

Kellö, Vladimir, Sadlej, Andrzej J.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 379 KB

english, 1995

64

The point charge model of nuclear quadrupoles: How and why does it work

Kellö, Vladimir, Sadlej, Andrzej J.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 293 KB

english, 2000

65

Electron correlation and relativistic contributions to dipole moments of heavy oxides and sulfides: SnO, PbO, SnS, and PbS

Kellö, Vladimir, Sadlej, Andrzej J., Fægri, Knut

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 369 KB

english, 1998

66

A theoretical study of the A 1Π←X 1Σ+ system of SiH+

Matos, J. Mauricio O., Kellö, Vladimir, Roos, Björn O., Sadlej, Andrzej J.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 984 KB

english, 1988

67

nuclei and survey of molecular data for alkali-metal nuclei

Kellö, Vladimir, Sadlej, Andrzej J.

Journal:

Physical Review A

Year:

1999

Language:

english

File:

PDF, 96 KB

english, 1999

68

Nuclear quadrupole moments of bromine and iodine from combined atomic and molecular data

Bieroń, Jacek, Pyykkö, Pekka, Sundholm, Dage, Kellö, Vladimir, Sadlej, Andrzej J.

Journal:

Physical Review A

Year:

2001

Language:

english

File:

PDF, 115 KB

english, 2001

69

Quasirelativistic studies of molecular electric properties: Dipole moments of the group IVa oxides and sulfides

Kellö, Vladimir, Sadlej, Andrzej J.

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 892 KB

english, 1993

70

Applications of perturbation theory to the chemical problems potential energy curves of BH, F 2 and N 2

Urban, Miroslav, Kellö, Vladimír

Journal:

Molecular Physics

Year:

1979

Language:

english

File:

PDF, 719 KB

english, 1979

71

Finite-field many-body perturbation theory

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

Journal:

Molecular Physics

Year:

1983

Language:

english

File:

PDF, 965 KB

english, 1983

72

Relativistic calculations of low-lying electronic states of ruthenium and osmium

Demovič, Lukáš, Kellö, Vladimir, Urban, Miroslav

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2014

Language:

english

File:

PDF, 179 KB

english, 2014

73

Electron correlation and relativistic contributions to molecular electric properties: dipole and quadrupole moments of cyanogen halides

Kellö, Vladimir, Sadlej, Andrzej J.

Journal:

Molecular Physics

Year:

1992

Language:

english

File:

PDF, 793 KB

english, 1992

74

Relativistic and Electron Correlation Effects as a Tool for Explaining Some Trends in Molecular Properties and Interactions

Urban, Miroslav, Kellö, Vladimír

Journal:

Computing Letters

Year:

2006

Language:

english

File:

PDF, 210 KB

english, 2006

75

Linear and nonlinear optical properties of a series of Ni-dithiolene derivatives

Serrano-Andrés, Luis, Avramopoulos, Aggelos, Li, Jiabo, Labéguerie, Pierre, Bégué, Didier, Kellö, Vladimir, Papadopoulos, Manthos G.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 636 KB

english, 2009

76

Scaling in second order electron correlation calculations of potential energy curves and spectroscopic constants

Wilson, Stephen, Kellö, Vladimir, Noga, Jozef, Urban, Miroslav

Journal:

Molecular Physics

Year:

1983

Language:

english

File:

PDF, 795 KB

english, 1983

77

Role of relativity in energy pattern of low-lying terms of Fe, Ru and Os

Demovič, Lukáš, Kellö, Vladimir, Urban, Miroslav

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 372 KB

english, 2016

78

Optimized virtual orbitals for relativistic calculations: an alternative approach to the basis set construction for correlation calculations

Pito[nbreve]ák, Michal, Neogrády, Pavel, Kellö, VladimÍr, Urban, Miroslav

Journal:

Molecular Physics

Year:

2006

Language:

english

File:

PDF, 342 KB

english, 2006

79

AIP Conference Proceedings [AIP Publishing LLC PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010) - Kos, Greece (3–8 October 2010)] - Determination of nuclear quadrupole moments – An example of the synergy of ab initio calculations and microwave spectroscopy

Kellö, Vladimir

Year:

2015

Language:

english

File:

PDF, 259 KB

english, 2015

80

The crystal structure of dibutyl-bis(pentamethylenedithiocarbamato)tin(IV)

Lokaj, Jan, Kellö, Eleonóra, Kettmann, Viktor, Vrábel, Viktor, Rattay, Vladimír

Journal:

Collection of Czechoslovak Chemical Communications

Year:

1986

Language:

english

File:

PDF, 436 KB

english, 1986

81

Standardized Medium-Size Basis Sets for Calculations of Molecular Electric Properties: Group IIIA

Černušák, Ivan, Kellö, Vladimir, Sadlej, Andrzej J.

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2003

Language:

english

File:

PDF, 164 KB

english, 2003

82

Relativistic calculations of AuSi + and AuSi −

Barysz, Maria, Černušák, Ivan, Kellö, Vladimir

Journal:

International Journal of Quantum Chemistry

Year:

2019

Language:

english

File:

PDF, 2.28 MB

english, 2019

83

Quasi-relativistic coupled cluster calculations of electric dipole moments and dipole polarizabilities of GeO, SnO, and PbO

Kellö, Vladimír, Antušek, Andrej, Urban, Miroslav

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2004

Language:

english

File:

PDF, 87 KB

english, 2004

84

Relativistic calculations of AuSi + and AuSi −

Barysz, Maria, Černušák, Ivan, Kellö, Vladimir

Journal:

International Journal of Quantum Chemistry

Year:

2019

File:

PDF, 2.28 MB

2019