I. Paidarová

发表

The 2Πg shape resonance of acetylene anion: an investigation with the RAC method

J. Horáček, R. Čurík, I. Paidarová, 2016 .

Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid

P. Mach, J. Urban, Š. Matejčík, 2013 .

About the Fermi golden rule and the computation of lifetimes of quantum resonances

P. Durand, I. Paidarová, M. Zereg, 1992 .

The way toward theoretical description of state-selected reactions of O + with methane

I. Paidarová, J. Hrǔsak, 2013 .

S. Sauer, I. Paidarová, J. Oddershede, 1994 .

J. Komasa, I. Paidarová, J. Oddershede, 1991 .

On a simple way to calculate electronic resonances for polyatomic molecules.

J. Horáček, R. Čurík, I. Paidarová, 2015, The Journal of chemical physics.

Determination of the resonance energy and width of the (2)B(2g) shape resonance of ethylene with the method of analytical continuation in the coupling constant.

J. Horáček, R. Čurík, I. Paidarová, 2014, The journal of physical chemistry. A.

Diatomics‐in‐molecules models for H2O and H2O−. II. A self‐consistent description of the 1A′, 1A″, 3A′, and 3A″ states of H2O

I. Paidarová, R. Polák, P. Kuntz, 1987 .

Generalization of the stabilization method for green functions and quantum resonances

P. Durand, I. Paidarová, 1997 .

Perturbation expansion of quantum resonance energies

P. Durand, I. Paidarová, 1997 .

THEORETICAL CALCULATIONS OF THE HYPERFINE STRUCTURE IN THE SPECTRA OF H3+ AND ITS DEUTERATED ISOTOPOMERS

P. Jensen, I. Paidarová, V. Špirko, 1997 .

Modeling Quantum Resonances: I. Dynamics of Interacting Resonances

P. Durand, I. Paidarová, 2003 .

The vibrational and temperature dependence of the magnetic properties of the oxonium ion (H3O

S. Sauer, I. Paidarová, V. Špirko, 1994 .

Theoretical charge-transfer cross sections for H+ + HCl(X1Σ+) → H(2Sg) + HCl+(A2Σ+) II: classical path trajectory calculations

I. Paidarová, P. Kuntz, Ruddolf Polál, 1996 .

Step Towards Modeling the Atmosphere of Titan: State-Selected Reactions of O+ with Methane

I. Paidarová, J. Hrǔsak, 2016, Origins of Life and Evolution of Biospheres.

ON THE FRAGMENTATION DYNAMICS OF NH3 NH2 + H. II. DIATOMICS-IN-MOLECULES POTENTIAL ENERGY SURFACES

I. Paidarová, R. Polák, P. Kuntz, 1997 .

ABOUT APPROXIMATION OF CONVERGENCE SUPEROPERATORS IN QUANTUM PERTURBATION THEORY

P. Durand, D. Bielinska-Waz, I. Paidarová, 1997 .

Diatomics‐in‐molecules models for H2O and H2O−. I. Valence bond diatomic fragment matrices

I. Paidarová, R. Polák, P. Kuntz, 1985 .

Non-adiabatic interaction in the autoionizing singlet He*-H2 system

I. Paidarová, J. Vojtík, 1988 .

Non-adiabatic coupling in the autoionizing He(2 3S)—H2 system

I. Paidarová, J. Vojtík, F. Schneider, 1987 .

Diatomics-in-molecules model for penning ionization in the He(2 1S)-H2 system

I. Paidarová, J. Vojtík, 1984 .

A semi-empirical dim calculation of the resonant energy and autoionization width of the He(23S)—H2 system

I. Paidarová, J. Vojtík, 1984 .

Ab initio excited states calculations of Kr3+, probing semi-empirical modelling

F. Gadéa, I. Paidarová, J. Hrǔsak, 2009 .

Modelling of Krn+ clusters. II. Photoabsorption spectra of small clusters (n=2–5)

F. Gadéa, I. Paidarová, R. Kalus, 2004 .

Accurate ab initio calculation of potential energy curves and transition dipole moments of the Xe2+ molecular ion

F. Gadéa, I. Paidarová, 2001 .

Perturbation theory of quantum resonances

P. Durand, I. Paidarová, 2016, Theoretical Chemistry Accounts.

Extracting complex resonance energies from real calculations

P. Durand, I. Paidarová, 2013 .

Quantum resonances: Line profiles and dynamics

P. Durand, I. Paidarová, 2003 .

Theory of generalized Fano profiles

P. Durand, I. Paidarová, 2002 .

Theory of Fano profiles

F. Gadéa, P. Durand, I. Paidarová, 2001 .

Calculated rotational and vibrational g factors of LiH X 1Σ+ and evaluation of parameters in radial functions from rotational and vibration‐rotational spectra

Keld L. Bak, S. Sauer, I. Paidarová, 2011 .

The vibrational and temperature dependence of the indirect nuclear spin–spin coupling constants of the oxonium (H3O+) and hydroxyl (OH−) ions

H. Koch, S. Sauer, I. Paidarová, 1998 .

Theoretical modeling of ionization energies of argon clusters: nuclear delocalization effects.

F. Karlický, I. Paidarová, P. Svrčková, 2011, The Journal of chemical physics.

Photoabsorption spectrum of helium trimer cation--theoretical modeling.

F. Gadéa, F. Karlický, B. Lepetit, 2013, The Journal of chemical physics.

Atoms-in-molecules calculations on diatomic fragments of polyatomic systems. HeH and HeH+

I. Paidarová, R. Polák, J. Vojtík, 1981 .

The relative importance of temperature and isotope effects on the dipole oscillator strength distribution of H2

J. Sabin, I. Paidarová, J. Oddershede, 1994 .

An estimate of the temperature dependence of the stopping cross section in molecular targets

J. Sabin, I. Paidarová, J. Oddershede, 1994 .

MRSD-CI calculations of deuteron quadrupole coupling constants for low-lying rovibrational levels of HD and D2 in their X1Σg+ and B1Σg+ states

L. Češpiva, I. Paidarová, J. Vojtík, 1991 .

Theoretical description of nuclear quadrupole coupling in light diatomic molecules

I. Paidarová, V. Špirko, J. Vojtík, 1990 .

Ab initio calculation of deuteron quadrupole coupling constants for low-lying rovibrational levels of HD in its X 1Σg+ and B 1Σu+ states

I. Paidarová, V. Špirko, J. Vojtík, 1989 .

Ab initio calculation of nuclear quadrupole coupling constants of rovibrational levels in the three Lowest-Lying 2Σ+ states of all isotopic variants of LiH+

L. Češpiva, I. Paidarová, J. Vojtík, 1990 .

Ab initio calculation of nuclear quadruple coupling constants of rovibrational levels of 11B2H, 10B1H10B1H in the double-minimum B1Σ+ electronic state

I. Paidarová, J. Vojtík, J. Šavrda, 1993 .

Energy derivative method in MRD CI calculation of rovibrational dependence of nuclear quadrupole coupling constants of diatomic molecules. Application to 7Li2H in the X 1∑+ and A 1∑+ states

L. Češpiva, I. Paidarová, J. Vojtík, 1993 .

Theoretical calculations of the nuclear quadrupole coupling in the spectra of D3+, H2D+, and HD2+

P. Jensen, I. Paidarová, V. Špirko, 1991 .

Nuclear quadrupole coupling constants of rovibrational levels of all isotopic species of BH+ in their X 2Σ+ and B′ 2Σ+ states

L. Češpiva, I. Paidarová, J. Vojtík, 1991 .

Double-minimum B 1∑+ electronic state of BH: rovibrational dependence of the ab initio boron quadrupole coupling constant

I. Paidarová, J. Vojtík, J. Šavdra, 1991 .

Ab initio calculations of nuclear quadrupole coupling constants of low‐lying rovibrational levels in the X1Σ+ and a1Σ+ states of all isotopic species of LiH

L. Češpiva, I. Paidarová, V. Špirko, 1990 .

Convergence studies in the theory of effective Hamiltonians

P. Durand, I. Paidarová, 1998 .

Ab initio calculations for Ar2+, He2+ and He3+, of interest for the modelling of ionic rare-gas clusters

F. Gadéa, I. Paidarová, 1996 .

A calculation of the isotropic and anisotropic spectral moments of the dipole oscillator strength distribution of N2

G. Diercksen, J. Sabin, I. Paidarová, 1991 .

DIM model calculations for (O2H)+ interaction potentials

L. Zülicke, I. Paidarová, F. Gianturco, 1988 .

Break-down of the born-oppenheimer approximation in the He(23S)-H2 and He(21S)-H2 autoionizing systems?

I. Paidarová, J. Vojtík, 1986 .

Atoms-in-molecules calculations on diatomic fragments of polyatomic systems: HeH, HeH+ and HeH− for a dim model of penning ionization of H2 by He*

I. Paidarová, R. Polák, J. Vojtík, 1982 .

Theoretical charge-transfer cross-sections for from a diatomics-in-molecules effective Hamiltonian

I. Paidarová, R. Polák, P. Kuntz, 1995 .

On the calculation of resonances by means of analytic continuation in coupling constant

J. Horáček, I. Paidarová, 2010 .

Semiclassical Study of Ar2*(3.SIGMA.u+) Excimers in a Pure Ar Afterglow by Means of a Diatomics-in-Molecules Potential Energy Surface for the Ar3* System

W. Wieme, G. D. Billing, I. Paidarová, 1995 .

Modeling Quantum Resonances: II. Overview of Collision Theory

P. Durand, I. Paidarová, 2003 .

Ab initio calculation of nuclear quadrupole coupling constants of rovibrational levels in the X 1Σ+ state of all isotopic variants of BH

L. Češpiva, I. Paidarová, J. Vojtík, 1991 .

Iterative determination of several interior eigenstates of large matrices: Application to the determination of light-induced resonances in H2+

P. Durand, G. Jolicard, I. Paidarová, 2000 .

Computational determination of wave operators from large Hamiltonian matrices

F. Gadéa, P. Durand, I. Paidarová, 2000 .

The structure of Ar3

F. Gadéa, I. Paidarová, J. Šavrda, 1994 .

A Comparison of Møller-Plesset and Coupled Cluster Linear Response Theory Methods for the Calculation of Dipole Oscillator Strength Sum Rules and C6 Dispersion Coefficients

S. Sauer, I. Paidarová, 2008 .

Calculations of Dipole and Quadrupole Polarizability Radial Functions for LiH and HF: A Comparison of Different Linear Response Methods

S. Sauer, I. Paidarová, 2005 .

Modelling of Kr+n clusters (n = 2-20). I. Structures and energetics

F. Gadéa, I. Paidarová, R. Kalus, 2003 .

The vibrational dependence of the hydrogen and oxygen nuclear magnetic shielding constants in OH− and OH− · H2O

Stephan P. A. Sauer, Wolfgang P. Kraemer, Vladimír Špirko, 1997 .

Calculations of magnetic hyperfine structure constants for the low-lying rovibrational levels of LiH, HF, CH+, and BH

S. Sauer, I. Paidarová, 1995 .

Modified version of the trajectory surface leaking method for dynamical calculations on autoionizing atom-diatom collision systems

I. Paidarová, J. Vojtík, 1991 .

Calculations of Polarizabilities and Their Gradients for Electron Energy-Loss Spectroscopy

S. Sauer, R. Čurík, I. Paidarová, 2008 .

Structural changes in the water tetramer. A combined Monte Carlo and DFT study.

René Kalus, I. Paidarová, Ivana Paidarová, 2010, Physical chemistry chemical physics : PCCP.

Joint experimental and theoretical study on vibrational excitation cross sections for electron collisions with diacetylene.

M. Allan, R. Čurík, I. Paidarová, 2014, The journal of physical chemistry. A.

Accidental conical intersections in H2Cl+(1A′)

I. Paidarová, W. N. Whitton, R. Polák, 1994 .

Unstable States: From Quantum Mechanics to Statistical Physics

P. Durand, I. Paidarová, 2010 .

Calculation of dipole polarizability derivatives of adamantane and their use in electron scattering computations

S. Sauer, R. Čurík, I. Paidarová, 2016 .

Convergence studies in quantum perturbation theory

P. Durand, I. Paidarová, J. Šavrda, 1994 .

Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: the importance of the large amplitude inversion mode.

P. Jensen, W. Thiel, S. Yurchenko, 2010, The Journal of chemical physics.

Modeling of HeN+ clusters. II. Calculation of He3+ vibrational spectrum.

F. Gadéa, F. Karlický, B. Lepetit, 2008, The Journal of chemical physics.

From Effective Hamiltonians to Fluctuation and Dissipation

P. Durand, I. Paidarová, 2006 .

Towards a unified formulation of dynamics and thermodynamics. I. From microscopic to macroscopic time scales

P. Durand, I. Paidarová, 2011 .

A non-linear dissipative model of magnetism

P. Durand, I. Paidarová, 2010 .

Hermitean DIM model for potential energy surfaces relevant to chemiionization processes

I. Paidarová, J. Vojtík, 1983 .

Perturbation non-hermitean DIM scheme for calculations of the width of autoionizing states of collision systems

I. Paidarová, J. Vojtík, 1986 .

Non-Hermitean DIM approach to the calculation of the resonant energy and width for chemiionization processes

I. Paidarová, J. Vojtík, 1985 .