Chemical Bonding : : From Plane Waves via Atomic Orbitals / / Richard Dronskowski.
Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it does not allow for chemical conclusions unless the electronic structure is unitarily transformed into atomic orbitals. This primer for chem...
Saved in:
Superior document: | Title is part of eBook package: De Gruyter DG Plus DeG Package 2023 Part 1 |
---|---|
VerfasserIn: | |
Place / Publishing House: | Berlin ;, Boston : : De Gruyter, , [2023] ©2023 |
Year of Publication: | 2023 |
Language: | English |
Series: | De Gruyter Textbook
|
Online Access: | |
Physical Description: | 1 online resource (XIV, 172 p.) |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Be the first to leave a comment!