300 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Hungarian Academy of SciencesHU5 papers
- HUN-REN Research Centre for Natural SciencesHU5 papers
- Eötvös Loránd UniversityHU4 papers
- University of ViennaAT3 papers
- Institute for Technical Physics and Materials ScienceHU2 papers
- Stony Brook UniversityUS2 papers
- University College LondonGB2 papers
- Budapest InstituteHU1 paper
- Budapest University of Technology and EconomicsHU1 paper
- Center for Astrophysics Harvard & SmithsonianUS1 paper
- Centre National de la Recherche ScientifiqueFR1 paper
- Courant Institute of Mathematical SciencesUS1 paper
14 papers
Semi-analytic Evaluation of 1, 2 and 3-Electron Coulomb Integrals with Gaussian expansion of Distance Operators W= RR, Rr, rr
Sandor Kristyan
The equations derived help to evaluate semi-analytically (mostly for k=1,2 or 3) the important Coulomb integrals Int rho(r1)...rho(rk) W(r1,...,rk) dr1...drk, where the one-electro…
Quasi-linear buildup of Coulomb integrals via the coupling strength parameter in the non-relativistic electronic Schrodinger equation
Sandor Kristyan
The non-relativistic electronic Hamiltonian, Hkin + Hne + aHee, is linear in coupling strength parameter (a), but its eigenvalues (electronic energies) have only quasi-linear depen…
Optimizing single Slater determinant for Electronic Hamiltonian with Lagrange multipliers and Newton-Raphson methods as an alternative to ground state calculations via Hartree-Fock self consistent field
Sandor Kristyan
Considering the emblematic Hartree-Fock (HF) energy expression with single Slater determinant and the ortho-normal molecular orbits (MO) in it, expressed as a linear combination (L…
Bicoherence analysis of nonstationary and nonlinear processes
Peter Zsolt Poloskei, Gergely Papp, Gabor Por +2
Bicoherence analysis is a well established method for identifying the quadratic nonlinearity of stationary processes. However, it is often applied without checking the basic assump…
MARVEL analysis of the measured high-resolution rovibronic spectra of TiO
Laura K. McKemmish, Thomas Masseron, Samuel Sheppard +6
Accurate, experimental rovibronic energy levels, with associated labels and uncertainties, are reported for 11 low-lying electronic states of the diatomic \TiO\ molecule, determine…
Nonadiabatic dynamics and multiphoton resonances in strong field molecular ionization with few cycle laser pulses
Vincent Tagliamonti, Péter Sándor, Arthur Zhao +3
We study strong field molecular ionization using few- (four to ten) cycle laser pulses. Employing a supercontinuum light source, we are able to tune the optical laser wavelength (p…
Strong Field Molecular Ionization in the Impulsive Limit: Freezing Vibrations with Short Pulses
Péter Sándor, Vincent Tagliamonti, Arthur Zhao +4
We study strong-field molecular ionization as a function of pulse duration. Experimental measurements of the photoelectron yield for a number of molecules reveal competition betwee…
Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report)
Jonathan Tennyson, Peter F. Bernath, Alain Campargue +19
The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-02…
Electric Transition Dipole Moment in pre-Born-Oppenheimer Molecular Structure Theory
Benjamin Simmen, Edit Matyus, Markus Reiher
This paper presents the calculation of the electric transition dipole moment in a pre-Born-Oppenheimer framework. Electrons and nuclei are treated equally in terms of the parametri…
On the zero mass limit of tagged particle diffusion in the 1-d Rayleigh-gas
Peter Balint, Balint Toth, Peter Toth
We consider the M -> 0 limit for tagged particle diffusion in a 1-dimensional Rayleigh-gas, studied originaly by Sinai and Soloveichik (1986), respectively by Szasz and Toth (1986)…
Magnetic fullerenes inside single-wall carbon nanotubes
F. Simon, H. Kuzmany, B. Nafradi +8
C59N magnetic fullerenes were formed inside single-wall carbon nanotubes by vacuum annealing functionalized C59N molecules encapsulated inside the tubes. A hindered, anisotropic ro…
On Deformations and Contractions of Lie Algebras
Alice Fialowski, Marc de Montigny
In this contributed presentation, we discuss and compare the mutually opposite procedures of deformations and contractions of Lie algebras. We suggest that with appropriate combina…
Critical domain size in a driven diffusive system
Attila Szolnoki, Tibor Antal, Gyorgy Szabo
The homogeneous ordered state transforms into a polydomain state via a nucleation mechanism in two-dimensional lattice gas if the particle jumps are biased by an external field …
Anisotropic Ordering in a Two-Temperature Lattice Gas
Attila Szolnoki, Gyorgy Szabo
We consider a two-dimensional lattice gas model with repulsive nearest- and next-nearest-neighbor interactions that evolves in time according to anisotropic Kawasaki dynamics. The…