What Is the Difference Between SDD and Stuttgart Pseudopotential?

  • Thread starter Thread starter hiltac
  • Start date Start date
  • Tags Tags
    Difference
Click For Summary
The discussion clarifies the distinction between Stuttgart pseudopotentials and SDD, which stands for Stuttgart-Dresden effective core potential. Stuttgart refers to a specific library of pseudopotentials, while SDD is a type of effective core potential used in computational chemistry. The conversation highlights confusion around the terminology, particularly the use of acronyms like ECP (electron core potential) and their relevance to basis sets. Users express frustration with the complexity of the information available online, seeking clearer explanations. Understanding these terms is crucial for correctly applying them in computational simulations.
hiltac
Messages
23
Reaction score
0
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
 
Physics news on Phys.org
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 !
 
Last edited by a moderator:
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
 

Thread 'Two equivalent statements of time reversal symmetric Hamiltonian'

Time reversal invariant Hamiltonians must satisfy ##[H,\Theta]=0## where ##\Theta## is time reversal operator. However, in some texts (for example see Many-body Quantum Theory in Condensed Matter Physics an introduction, HENRIK BRUUS and KARSTEN FLENSBERG, Corrected version: 14 January 2016, section 7.1.4) the time reversal invariant condition is introduced as ##H=H^*##. How these two conditions are identical?
View full post »

Similar threads

Undergrad What's the relation between spinor space and SO(3) vector space?
  • · Replies 53 ·
2
Replies
53
Views
4K
Graduate Noise in Landau–Zener transition
  • · Replies 0 ·
Replies
0
Views
846
Undergrad Inner and Outer Product of the Wavefunctions
  • · Replies 8 ·
Replies
8
Views
4K
Undergrad Difference between Scattering and Emission of Photons
  • · Replies 25 ·
Replies
25
Views
13K
Graduate Does x affect the value of [a^2,(a^†)^2×e^2ikx]
  • · Replies 2 ·
Replies
2
Views
2K
What is the difference between DFT and TD-DFT in Gaussian 09 software?
  • · Replies 2 ·
Replies
2
Views
3K
What's the difference between these two equations?
  • · Replies 1 ·
Replies
1
Views
1K
Undergrad Physical Difference Between Co- and Contravariant Vectors
  • · Replies 6 ·
Replies
6
Views
2K
Undergrad Understanding the meaning of "uncertainty" in Heisenberg's UP
  • · Replies 10 ·
Replies
10
Views
3K
High School What is the difference between B and H?
  • · Replies 14 ·
Replies
14
Views
3K