Resonances of HCO Computed Using an Approach Based on the Multiconfiguration Time-Dependent Hartree Method-Reference-Cited by-同舟云学术

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Resonances of HCO Computed Using an Approach Based on the Multiconfiguration Time-Dependent Hartree Method

Published:2015-06-24 Issue:50 Volume:119 Page:12043-12051
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Ndengué Steve Alexandre¹,Dawes Richard¹,Gatti Fabien²,Meyer Hans-Dieter³

Affiliation:

1. Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409, United States

2. CTMM, Institut Charles Gerhardt, UMR 5253, Univeristé de Montpellier II, Place Eugène Bataillon, 34095 Montpellier, France

3. Theoretische Chemie, Physikalisch-Chemisches Institut, Im Neuenheimer Feld 229, Universität Heidelberg, 69120 Heidelberg, Germany

Funder

Division of Chemistry

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b04642

Reference78 articles.

1. Including quantum effects in the dynamics of complex (i.e., large) molecular systems

2. Molecular Quantum Dynamics

3. Variational quantum approaches for computing vibrational energies of polyatomic molecules

4. The multi-configurational time-dependent Hartree approach

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1. Recent Advances in the Study of Negative‐Ion Resonances Using Multiconfigurational Propagator and a Complex Absorbing Potential;ChemPhysChem;2022-11-16

2. The Role of Ozone Vibrational Resonances in the Isotope Exchange Reaction 16O16O + 18O → 18O16O + 16O: The Time-Dependent Picture;The Journal of Physical Chemistry A;2019-08-13

3. Dynamical interference in the vibronic bond breaking reaction of HCO;Science Advances;2019-01-04

4. Intermolecular rovibrational bound states of H2O H2 dimer from a MultiConfiguration Time Dependent Hartree approach;Chemical Physics Letters;2019-01

5. The rotational spectrum and potential energy surface of the Ar–SiO complex;The Journal of Chemical Physics;2018-10-07

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