Ab Initio Treatment of Bond-Breaking Reactions: Accurate Course of HO3 Dissociation and Revisit to Isomerization
Author:
Affiliation:
1. Departamento de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct200773b
Reference74 articles.
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3. Perturbative triple and quadruple excitation corrections to MRCISD
4. On the inclusion of triple and quadruple electron excitations into MRCISD for multiple states
5. Correlation energy extrapolation by intrinsic scaling. I. Method and application to the neon atom
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