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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awdur: Marquardt, Sebastian
Awduron Eraill: Berger, Robert (Prof. Dr.) (Cynghorydd traethodau ymchwil)
Fformat: Dissertation
Iaith:Saesneg
Cyhoeddwyd: Philipps-Universität Marburg 2018
Pynciau:
Mynediad Ar-lein:Testun PDF llawn
Tagiau: Ychwanegu Tag
Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!