Edit Matyus
Edit Matyus
Assistant Professor, Eötvös Loránd University
Verified email at chem.elte.hu - Homepage
Title
Cited by
Cited by
Year
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
2662008
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
1922012
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
1842009
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
1052011
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
1022007
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
832010
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
692009
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
642010
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
632012
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
592011
On the emergence of molecular structure
E Mátyus, J Hutter, U Müller-Herold, M Reiher
Physical Review A 83 (5), 052512, 2011
582011
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
542013
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
532007
Anchoring the absolute proton affinity scale
G Czakó, E Mátyus, AC Simmonett, AG Császár, HF Schaefer III, ...
American Chemical Society, 2008
522008
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
502011
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
482009
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
462014
Pre-Born–Oppenheimer molecular structure theory
E Mátyus
Molecular Physics 117 (5), 590-609, 2019
282019
Quantum tunneling splittings from path-integral molecular dynamics
E Mátyus, DJ Wales, SC Althorpe
The Journal of chemical physics 144 (11), 114108, 2016
282016
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
232007
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Articles 1–20