Accurate Prediction of Core Properties for Chiral Molecules using Pseudo Potentials
Pseudo potentials (PPs) constitute perhaps the most common way to treat relativity, often in a formally non-relativistic framework, and reduce the electronic structure to the chemically relevant part. The drawback is that orbitals obtained in this picture (called pseudo orbitals (POs)) show a redu...
Gespeichert in:
1. Verfasser: | |
---|---|
Beteiligte: | |
Format: | Dissertation |
Sprache: | Englisch |
Veröffentlicht: |
Philipps-Universität Marburg
2018
|
Schlagworte: | |
Online Zugang: | PDF-Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
No citations were found for this record.