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...
Shranjeno v:
Glavni avtor: | |
---|---|
Drugi avtorji: | |
Format: | Dissertation |
Jezik: | angleščina |
Izdano: |
Philipps-Universität Marburg
2018
|
Teme: | |
Online dostop: | PDF-Volltext |
Oznake: |
Označite
Brez oznak, prvi označite!
|
No citations were found for this record.