Logo del repository
  1. Home
 
Opzioni

Identifying the Hamiltonian structure in linear response theory

Nanna Holmgaard List
•
CORIANI, Sonia
•
Ove Christiansen
•
Jacob Kongsted
2014
  • journal article

Periodico
THE JOURNAL OF CHEMICAL PHYSICS
Abstract
We present a unifying framework for linear response eigenvalue equations that encompasses both variational Hartree-Fock and Kohn-Sham density functional theory as well as non-variational coupled-cluster theory. The joint description is rooted in the so-called Hamiltonian structure of the response kernel matrices, whose properties permit an immediate identification of the well-known paired eigenvalue spectrum describing a molecule in the isolated state. Recognizing the Hamiltonian structure underlying the equations further enables a generalization to the case of a polarizableembedded molecule treated in variational and, in particular, in non-variational theories.
DOI
10.1063/1.4881145
WOS
WOS:000337806100006
Archivio
http://hdl.handle.net/11368/2806524
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84902498047
Diritti
metadata only access
Soggetti
  • Response theory

  • Hamiltonian structure...

  • Polarizable embedding...

  • Coupled cluster theor...

Web of Science© citazioni
13
Data di acquisizione
Mar 13, 2024
Visualizzazioni
2
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