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...
保存先:
第一著者: | |
---|---|
その他の著者: | |
フォーマット: | Dissertation |
言語: | 英語 |
出版事項: |
Philipps-Universität Marburg
2018
|
主題: | |
オンライン・アクセス: | PDFフルテキスト |
タグ: |
タグ追加
タグなし, このレコードへの初めてのタグを付けませんか!
|
No citations were found for this record.