V. Szalay

发表

Discrete variable representations of differential operators

V. Szalay, 1993 .

Vibrations of H+(D+) in stoichiometric LiNbO3 single crystal.

K. Lengyel, V. Szalay, L. Kovács, 2011, The Journal of chemical physics.

Combination transitions due to stretching and librations of OH⁻ ions in LiNbO₃.

László Kovács, K. Lengyel, V. Szalay, 2011, Optics letters.

Stretching potential and equilibrium length of the OH bond in solids.

V. Szalay, L. Kovács, M. Wöhlecke, 2002 .

Contracted distributed approximating functions: Derivation of non-oscillatory free particle and harmonic propagators for Feynman path integration in real time

V. Szalay, 1998 .

Internal- and rho-axis systems of molecules with one large amplitude internal motion: The geometry of rho.

V. Szalay, M. Rey, D. Viglaska, 2018, The Journal of chemical physics.

Optimal grids for generalized finite basis and discrete variable representations: definition and method of calculation.

V. Szalay, 2006, The Journal of chemical physics.

Finite basis representations with nondirect product basis functions having structure similar to that of spherical harmonics.

V. Szalay, A. Császár, G. Czakó, 2006, The Journal of chemical physics.

Further extension of the Hougen-Bunker-Johns model

V. Szalay, 1983 .

Derivation of rotational-vibrational hamiltonian matrices of real elements

V. Szalay, Samantha Lane, 1992 .

The standard enthalpy of formation of CH2

Matthew L. Leininger, Attila G. Császár, V. Szalay, 2003 .

Determination of an isotope-independent puckering potential function of oxetane

V. Szalay, G. Fogarasi, G. Bánhegyi, 1987 .

About the variational property of generalized discrete variable representation.

V. Szalay, 2013, The journal of physical chemistry. A.

Variational properties of the discrete variable representation: discrete variable representation via effective operators.

V. Szalay, P. Adam, 2012, The Journal of chemical physics.

The discrete variable representation of the rotational-vibrational Hamiltonian of triatomic molecules

V. Szalay, L. Nemes, 1994 .

On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: Considerations of symmetry, accuracy, and simplicity. II. Case studies for H2O isotopologues, H3+, O3, and NH3.

V. Szalay, A. Császár, B. Poirier, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Derivation of the nonrigid rotation-large-amplitude internal motion Hamiltonian of the general molecule

V. Szalay, 1988 .

The Methylene Saga Continues: Stretching Fundamentals and Zero-Point energy of ~X3B1 CH2

V. Szalay, A. Császár, T. Furtenbacher, 2006 .

On equilibrium structures of the water molecule.

V. Szalay, J. Tennyson, A. Császár, 2005, The Journal of chemical physics.

The vibrational spectrum and the isomerization potential of HCN/HNC

V. Szalay, 1990 .

The barrier to linearity of water

W. D. Allen, H. Schaefer, V. Szalay, 1999 .

Iterative and direct methods employing distributed approximating functionals for the reconstruction of a potential energy surface from its sampled values

V. Szalay, Viktor Szalay, 1999 .

Long-lasting molecular alignment: fact or fiction?

V. Szalay, Mirta Rodríguez, Julio Santos, 2010, The Journal of chemical physics.

Treating singularities present in the Sutcliffe-Tennyson vibrational Hamiltonian in orthogonal internal coordinates.

V. Szalay, A. Császár, T. Furtenbacher, 2005, The Journal of chemical physics.

Adiabatic Jacobi corrections for H2+-like systems.

V. Szalay, A. Császár, B. Sutcliffe, 2007, The Journal of chemical physics.

Variational vibrational calculations using high-order anharmonic force fields

V. Szalay, T. Furtenbacher, G. Czakó, 2004 .

Eckart ro-vibrational Hamiltonians via the gateway Hamilton operator: Theory and practice.

V. Szalay, 2017, The Journal of chemical physics.

Ab initio torsional potential and transition frequencies of acetaldehyde.

V. Szalay, A. Császár, M. Senent, 2004, The Journal of chemical physics.

On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicity

V. Szalay, A. Császár, B. Poirier, 2020, Scientific Reports.

Workshop on Mathematical Methods in Quantum Molecular Dynamics 28 April – 3 May 2013 MEALS

G. Hagedorn, V. Szalay, U. Manthe, 2013 .

A paradox of grid-based representation techniques: accurate eigenvalues from inaccurate matrix elements

V. Szalay, A. Császár, Tamás Szidarovszky, 2012, Journal of Mathematical Chemistry.

METHANOL AS A FLEXIBLE MODEL

V. Szalay, P. Godfrey, M. Mekhtiev, 1996 .

Symmetry analysis of internal rotation

V. Szalay, A. Császár, M. Senent, 2002 .

THE INTERNAL AXIS SYSTEM OF MOLECULES WITH ONE LARGE AMPLITUDE INTERNAL MOTION

V. Szalay, J. Ortigoso, 1998 .

The Force Field of Bromoform: A Theoretical and Experimental Investigation

V. Szalay, J. García-Ramos, A. Navarro, 1996 .

GÁBOR CZAKÓ Toward first-principles complete spectroscopy of small molecules

V. Szalay, A. Császár, Ph. D. Advisers, 2007 .

Use of a nondirect-product basis for treating singularities in triatomic rotational-vibrational calculations.

V. Szalay, A. Császár, T. Furtenbacher, 2007, Physical chemistry chemical physics : PCCP.

Aspects of the Eckart frame ro-vibrational kinetic energy operator.

V. Szalay, 2015, The Journal of chemical physics.

Understanding nuclear motions in molecules: Derivation of Eckart frame ro-vibrational Hamiltonian operators via a gateway Hamiltonian operator.

V. Szalay, 2015, The Journal of chemical physics.

Eckart-Sayvetz conditions revisited.

V. Szalay, 2014, The Journal of chemical physics.

General derivative relations for anharmonic force fields

V. Szalay, A. Császár, I. Mills, 1996 .

Adiabatic approximations to internal rotation.

W. D. Allen, V. Szalay, A. Császár, 2006, The Journal of chemical physics.

Stoichiometry dependence of the OH− absorption band in LiNbO3 crystals

László Kovács, V. Szalay, L. Kovács, 1984 .

Rho-axis-system Hamiltonian for molecules with one large amplitude internal motion

V. Szalay, A. Császár, Julio Santos, 2003 .

The generalized discrete variable representation. An optimal design

V. Szalay, 1996 .

On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicity

V. Szalay, A. Császár, B. Poirier, 2020, Scientific Reports.