What Is the Difference Between SDD and Stuttgart Pseudopotential?

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Discussion Overview

The discussion revolves around the differences between SDD (Stuttgart-Dresden) and Stuttgart pseudopotentials, specifically in the context of computational chemistry and their applications in effective core potentials (ECPs). Participants seek to clarify terminology and understand the implications of using these terms in relation to basis sets.

Discussion Character

  • Conceptual clarification
  • Debate/contested

Main Points Raised

  • One participant expresses confusion about the distinction between Stuttgart pseudopotentials and SDD, questioning if SDD is an ECP.
  • Another participant corrects the acronym from EDP to ECP, indicating a misunderstanding in terminology.
  • A participant highlights the difficulty in understanding the various acronyms used in the discussion.
  • There is acknowledgment of the confusion surrounding the meaning of a "Stuttgart effective core SDD basis set" and its implications.
  • One participant critiques a linked website for being unclear about the software's functionality in relation to the topic.
  • A suggestion is made to refer to another article for potentially clearer information regarding SDD.

Areas of Agreement / Disagreement

Participants do not reach a consensus on the differences between SDD and Stuttgart pseudopotentials, and the discussion remains unresolved with multiple viewpoints and uncertainties expressed.

Contextual Notes

There are limitations in understanding due to the use of acronyms and the lack of clear definitions provided in the referenced materials. The discussion also reflects varying levels of familiarity with the subject matter among participants.

hiltac
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Hello !
I don't really undestand the difference between these two terms.
Stuttgart Librairy is a pseudopotential, right ?
What is SDD? (I've seen that this is a EDP too is that ok?)

So what does that mean if we say that we take a Stuttgar t effective core SDD basis set ?
What is the difference between SDD and Stuttgart pseudopotential ?
Thank you
 
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Sorry I made a mistake it's not EDP but of course ECP (for SDD)
 
What are you referring too? There are more three-letter acronyms in your posting than digestible for me ;-).
 
You're right !
ECP = electron core potential
And the SDD I don't know what is it...
On this site you can find the SDD and Stuttgart but I don't understand what is the difference between the 2 to be able to understand what means if we say that we take a Stuttgar t effective core SDD basis set.
http://www.gaussian.com/g_tech/g_ur/k_pseudo.htm

thank you !
 
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I've never seen such a strange website. Obviously it's about some simulation software, but what the heck is it doing? I've no clue! In our field at least we write, what our software is doing, so that anybody can understand at least this :-):

https://gibuu.hepforge.org/trac/wiki
 

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