Logo del repository
  1. Home
 
Opzioni

Theoretical study of the correlation effects in the photoelectron spectrum of bis(*-allyl)nickel

DECLEVA, PIETRO
•
FRONZONI, GIOVANNA
•
A. LISINI
1989
  • journal article

Periodico
CHEMICAL PHYSICS
Abstract
CI calculations of the photoelectron spectrum of bis(pgreco-allyl)nickel have been performed in several model spaces. The most importante effects are found to be associated with a quasidegenerate space corresponding to the allyl p-greco and Ni 3d orbitals, with significant contribution up to 4h-3p excitations. Inclusion of single and double excitations in the remaining virtual space, with perturbative selection of configurations, gives a good reproduction of the upper experimental spectrum recovering the errors given by previous ab-initio treatments.
Archivio
http://hdl.handle.net/11368/1897225
Diritti
metadata only access
Soggetti
  • Theoretical chemistry...

Visualizzazioni
1
Data di acquisizione
Apr 19, 2024
Vedi dettagli
google-scholar
Get Involved!
  • Source Code
  • Documentation
  • Slack Channel
Make it your own

DSpace-CRIS can be extensively configured to meet your needs. Decide which information need to be collected and available with fine-grained security. Start updating the theme to match your nstitution's web identity.

Need professional help?

The original creators of DSpace-CRIS at 4Science can take your project to the next level, get in touch!

Realizzato con Software DSpace-CRIS - Estensione mantenuta e ottimizzata da 4Science

  • Impostazioni dei cookie
  • Informativa sulla privacy
  • Accordo con l'utente finale
  • Invia il tuo Feedback