Skip to Main content Skip to Navigation
Journal articles

Fragment-Localized Kohn−Sham Orbitals via a Singles Configuration-Interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis

Peter Reinhardt 1 Jean-Philip Piquemal 1 Andreas Savin 1
1 LCT - Laboratoire de chimie théorique
Complete list of metadatas
https://hal.archives-ouvertes.fr/hal-02126818
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:48:12 PM
Last modification on : Tuesday, December 24, 2019 - 12:40:07 PM

Links full text

openaccess

Identifiers

Collections

CNRS | INC-CNRS | LCT | UPMC | SORBONNE-UNIVERSITE | SU-SCIENCES

Citation

Peter Reinhardt, Jean-Philip Piquemal, Andreas Savin. Fragment-Localized Kohn−Sham Orbitals via a Singles Configuration-Interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis. Journal of Chemical Theory and Computation, American Chemical Society, 2008, 4 (12), pp.2020-2029. ⟨10.1021/ct800242n⟩. ⟨hal-02126818⟩

Export

BibTeX TEI DC DCterms EndNote

Share

Metrics

Record views

39

Contact

Informations

CCSD