Edit Matyus
Edit Matyus
Assistant Professor, Eötvös Loránd University
Verified email at chem.elte.hu - Homepage
Cited by
Cited by
Capture of hydroxymethylene and its fast disappearance through tunnelling
PR Schreiner, HP Reisenauer, FC Pickard Iv, AC Simmonett, WD Allen, ...
Nature 453 (7197), 906-909, 2008
The fourth age of quantum chemistry: molecules in motion
AG Csaszar, C Fabri, T Szidarovszky, E Matyus, T Furtenbacher, G Czako
Physical Chemistry Chemical Physics 14 (3), 1085-1106, 2012
Toward black-box-type full-and reduced-dimensional variational (ro) vibrational computations
E Mátyus, G Czakó, AG Császár
The Journal of chemical physics 130 (13), 134112, 2009
Rotating full-and reduced-dimensional quantum chemical models of molecules
C Fábri, E Mátyus, AG Császár
The Journal of chemical physics 134 (7), 074105, 2011
Vibrational energy levels with arbitrary potentials using the Eckart-Watson Hamiltonians and the discrete variable representation
E Matyus, G Czako, BT Sutcliffe, AG Csaszar
The Journal of chemical physics 127 (8), 084102, 2007
First-principles prediction and partial characterization of the vibrational states of water up to dissociation
AG Csaszar, E Mátyus, T Szidarovszky, L Lodi, NF Zobov, SV Shirin, ...
Journal of Quantitative Spectroscopy and Radiative Transfer 111 (9), 1043-1064, 2010
On the variational computation of a large number of vibrational energy levels and wave functions for medium-sized molecules
E Mátyus, J Šimunek, AG Császár
The Journal of chemical physics 131 (7), 074106, 2009
Assigning quantum labels to variationally computed rotational-vibrational eigenstates of polyatomic molecules
E Mátyus, C Fábri, T Szidarovszky, G Czakó, WD Allen, AG Császár
The Journal of chemical physics 133 (3), 034113, 2010
Molecular structure calculations: A unified quantum mechanical description of electrons and nuclei using explicitly correlated Gaussian functions and the global vector …
E Mátyus, M Reiher
The Journal of chemical physics 137 (2), 024104, 2012
Variational quantum mechanical and active database approaches to the rotational-vibrational spectroscopy of ketene, H2CCO
C Fábri, E Mátyus, T Furtenbacher, L Nemes, B Mihály, T Zoltáni, ...
The Journal of chemical physics 135 (9), 094307, 2011
On the emergence of molecular structure
E Mátyus, J Hutter, U Müller-Herold, M Reiher
Physical Review A 83 (5), 052512, 2011
Analysis of the Rotational–Vibrational States of the Molecular Ion H3+
T Furtenbacher, T Szidarovszky, E Mátyus, C Fábri, AG Császár
Journal of Chemical Theory and Computation 9 (12), 5471-5478, 2013
An active database approach to complete rotational–vibrational spectra of small molecules
AG Császár, G Czakó, T Furtenbacher, E Mátyus
Annual Reports in Computational Chemistry 3, 155-176, 2007
Anchoring the absolute proton affinity scale
G Czakó, E Mátyus, AC Simmonett, AG Császár, HF Schaefer III, ...
American Chemical Society, 2008
Extracting elements of molecular structure from the all-particle wave function
E Mátyus, J Hutter, U Müller-Herold, M Reiher
The Journal of chemical physics 135 (20), 204302, 2011
Bridging theory with experiment: a benchmark study of thermally averaged structural and effective spectroscopic parameters of the water molecule
G Czakó, E Mátyus, AG Császár
The Journal of Physical Chemistry A 113 (43), 11665-11678, 2009
Numerically constructed internal-coordinate Hamiltonian with Eckart embedding and its application for the inversion tunneling of ammonia
C Fábri, E Mátyus, AG Császár
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 119, 84-89, 2014
Pre-Born–Oppenheimer molecular structure theory
E Mátyus
Molecular Physics 117 (5), 590-609, 2019
Quantum tunneling splittings from path-integral molecular dynamics
E Mátyus, DJ Wales, SC Althorpe
The Journal of chemical physics 144 (11), 114108, 2016
Conformers and photochemistry of propyl nitrites: A matrix isolation study
E Mátyus, G Magyarfalvi, G Tarczay
The Journal of Physical Chemistry A 111 (3), 450-459, 2007
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