Artiklar med krav på offentlig åtkomst - Edit MatyusLäs mer
Inte tillgängliga någonstans: 5
First-principles prediction and partial characterization of the vibrational states of water up to dissociation
AG Császár, E Mátyus, T Szidarovszky, L Lodi, NF Zobov, SV Shirin, ...
Journal of Quantitative Spectroscopy and Radiative Transfer 111 (9), 1043-1064, 2010
Krav: Hungarian Scientific Research Fund
All-order explicitly correlated relativistic computations for atoms and molecules
P Jeszenszki, D Ferenc, E Mátyus
The Journal of Chemical Physics 154 (22), 2021
Krav: European Commission
Computation of rovibronic resonances of molecular hydrogen: inner-well rotational states
D Ferenc, E Mátyus
Physical Review A 100 (2), 020501, 2019
Krav: Swiss National Science Foundation
Non-adiabatic mass-correction functions and rovibrational states of 4He2+ (X 2Σu+)
E Mátyus
The Journal of Chemical Physics 149 (19), 2018
Krav: Swiss National Science Foundation
Performance of a black-box-type rovibrational method in comparison with a tailor-made approach: Case study for the methane–water dimer
A Martín Santa Daría, G Avila, E Mátyus
The Journal of Chemical Physics 154 (22), 2021
Krav: Swiss National Science Foundation
Tillgängliga någonstans: 61
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
Krav: Hungarian Scientific Research Fund
Rotating full-and reduced-dimensional quantum chemical models of molecules
C Fábri, E Mátyus, AG Császár
The Journal of chemical physics 134 (7), 2011
Krav: Hungarian Scientific Research Fund
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), 2012
Krav: Swiss National Science Foundation, Hungarian Scientific Research Fund
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), 2009
Krav: Hungarian Scientific Research Fund
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), 2010
Krav: Hungarian Scientific Research Fund
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
Krav: Hungarian Scientific Research Fund
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
Krav: Hungarian Scientific Research Fund
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), 2011
Krav: Hungarian Scientific Research Fund
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
Krav: Hungarian Scientific Research Fund
Pre-Born–Oppenheimer molecular structure theory
E Mátyus
Molecular Physics 117 (5), 590-609, 2019
Krav: Swiss National Science Foundation
Quantum tunneling splittings from path-integral molecular dynamics
E Mátyus, DJ Wales, SC Althorpe
The Journal of chemical physics 144 (11), 2016
Krav: UK Engineering and Physical Sciences Research Council
Molecular dimers of methane clathrates: ab initio potential energy surfaces and variational vibrational states
MP Metz, K Szalewicz, J Sarka, R Tóbiás, AG Császár, E Mátyus
Physical Chemistry Chemical Physics 21 (25), 13504-13525, 2019
Krav: US National Science Foundation, Swiss National Science Foundation, US …
Rovibrational transitions of the methane–water dimer from intermolecular quantum dynamical computations
J Sarka, AG Császár, SC Althorpe, DJ Wales, E Mátyus
Physical Chemistry Chemical Physics 18 (33), 22816-22826, 2016
Krav: UK Engineering and Physical Sciences Research Council, European Commission …
Toward breaking the curse of dimensionality in (ro) vibrational computations of molecular systems with multiple large-amplitude motions
G Avila, E Mátyus
The Journal of Chemical Physics 150 (17), 2019
Krav: Swiss National Science Foundation
Rovibrational quantum dynamical computations for deuterated isotopologues of the methane–water dimer
J Sarka, AG Császár, E Mátyus
Physical Chemistry Chemical Physics 19 (23), 15335-15345, 2017
Krav: Swiss National Science Foundation, National Office for Research, Development …
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