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

Author

Steve Alexandre Ndengué
Richard Dawes, Missouri University of Science and TechnologyFollow
Fabien Gatti
Hans Dieter Meyer

Abstract

The improved relaxation method with a complex absorbing

Recommended Citation

S. A. Ndengué et al., "Resonances of HCO Computed Using an Approach Based on the Multiconfiguration Time-Dependent Hartree Method," Journal of Physical Chemistry A, vol. 119, no. 50, pp. 12043 - 12051, American Chemical Society (ACS), Dec 2015.

The definitive version is available at https://doi.org/10.1021/acs.jpca.5b04642

Department(s)

Chemistry

Research Center/Lab(s)

Center for High Performance Computing Research

Keywords and Phrases

Potential Energy; Quantum Chemistry, Complex Absorbing Potentials; Complex Symmetric; Dissociation Limit; Filter Diagonalization; Lanczos Algorithm; Method Development; Multiconfiguration Time-dependent Hartree Method; Relaxation Methods; Resonance

International Standard Serial Number (ISSN)

1089-5639

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2015 American Chemical Society (ACS), All rights reserved.

Publication Date

01 Dec 2015