How to interpret this equation in Szabo & Ostlund's book

  • Context: Graduate 
  • Thread starter Thread starter compchemrulez
  • Start date Start date
  • Tags Tags
    Book
Click For Summary
SUMMARY

The discussion focuses on interpreting equation 1.48a from Szabo & Ostlund's "Modern Quantum Chemistry". Participants clarify that the index j serves as a component in the same basis as i, with both representing elements of a complex vector space. The relationship between bras and kets is emphasized, equating them to vectors in linear algebra. The conversation also highlights the importance of understanding the orthogonality property as outlined in equation 1.47.

PREREQUISITES
  • Understanding of linear algebra concepts, particularly vector spaces
  • Familiarity with quantum mechanics terminology, specifically bras and kets
  • Knowledge of the orthogonality property in vector spaces
  • Basic proficiency in LaTeX for formatting equations
NEXT STEPS
  • Review the linear algebra chapter in Szabo & Ostlund's "Modern Quantum Chemistry"
  • Learn about the Kronecker delta and its applications in quantum mechanics
  • Study the relationship between bras and kets in complex vector spaces
  • Explore LaTeX formatting for mathematical equations
USEFUL FOR

Students and professionals in quantum chemistry, physicists, and anyone seeking to deepen their understanding of linear algebra in the context of quantum mechanics.

compchemrulez
Messages
8
Reaction score
3
TL;DR
Szabo & Ostlund
I am trying to interpret equation 1.48a on page 11 in Szabo & Ostlund's "Modern Quantum Chemistry".

What purpose does the index j serve? Is j another basis? Why do we need j?Reference:
Szabo, A., & Ostlund, N. S. (1996). Modern quantum chemistry: Introduction to advanced electronic structure theory. Mineola, N.Y: Dover Publications.
 
Physics news on Phys.org
it uses eq 1.47 the orthogonality property.
If you know linear algebra, you can think of these indices as you would do for basis vectors in say R3

The <j|a> is similar as you would do in linear algebra, for a vector a, what its compnents are in a certain basis
 
yes, but where does j even come from? if we are trying to find the components of |a> with respect to the basis {|i>}, why do we need j? I do not understand
 
was |a> in the basis {| j >} to begin with?
 
or perhaps the better question is, are i and j two separate bases? Is j just another index over the basis i ?
 
oh wait, is aj just the jth component of ket | a > ?
 
compchemrulez said:
or perhaps the better question is, are i and j two separate bases? Is j just another index over the basis i ?
You can use any letter you want, you will get the kronecker delta anyway.
Yes they are in the same basis, well ##\langle i | ## is the dual-basis of ##| i \rangle ##. If this was "regular vectors" ##\langle i | ## would be the "row vector" of ## | i \rangle## so to say.

Review the linear algebra chapter again. Bras and kets at this point are just representations of vectors in a complex vector space. Eq. 1.48a is the "same" as eq 1.8 but you write ##|a\rangle## instead of ##\vec a## and ##\sum |i\rangle a_i## instead of ##\vec a = a_1 \hat e_1 + a_2 \hat e_2 + a_3 \hat e_3## and ##|i \rangle ## instead of ##\hat e_i## and ##\langle i | ## would be ##(\hat e_i)^T## (the row vector form of ##\hat e_i##)
 
Last edited:
  • Like
Likes   Reactions: hutchphd
ok I think this is making more sense now

Thank you Malawi_glenn, you will see me posting many more questions in this forum : )
 
  • Like
Likes   Reactions: malawi_glenn
compchemrulez said:
Thank you Malawi_glenn, you will see me posting many more questions in this forum : )
You need to post the relevant equations here, and your own effort in trying to understand.
For this, I recommend that you learn some basic LaTeX, there is a nice guide here https://www.physicsforums.com/help/latexhelp/

A good title is also needed "help with an equation in book X" is not very useful.

A question like this, I would have reported, but I decided to cut some slack here since you are new and I have the book pretty close to me in my little library.
 
  • #10
How should I cite an equation from a book?
 

Similar threads

  • · Replies 2 ·
Replies
2
Views
2K
  • Poll Poll
  • · Replies 1 ·
Replies
1
Views
4K
Replies
1
Views
3K
  • · Replies 13 ·
Replies
13
Views
4K
  • · Replies 3 ·
Replies
3
Views
3K
Replies
6
Views
3K
  • · Replies 16 ·
Replies
16
Views
2K
  • · Replies 33 ·
2
Replies
33
Views
4K
  • · Replies 15 ·
Replies
15
Views
3K
  • · Replies 4 ·
Replies
4
Views
2K