Computational Chemistry 4.10 - Restricted Determinants

Short lecture on spin restricted determinants for N-electron wavefunctions.
In a restricted Slater determinant each electron must have a matching electron with the same spatial orbital and the opposite spin function (alpha, beta). This is best applied to a closed shell system, where it simplifies the analysis, equations, and computation of molecular properties. By contrast, an unrestricted determinant allows each electron to have an independent spatial orbital, whether or not there is a corresponding spin-paired electron. This is most frequently applied to open-shell systems which are more complex due to the unequal interactions of alpha and beta electrons due to a non-equal number of each. A restricted Slater determinant can be indicated with spatial orbitals only, and a bar above to represent the beta electrons. Additionally there are restricted open-shell determinants, which will not be discussed further in this course.
Notes Slide: i.imgur.com/xC...
-- About TMP Chem --
All TMP Chem content is free for everyone, everywhere, and created independently by Trent Parker.
Email: [e-mail]
-- Video Links --
Course Playlist: • Computational Chemistry
Chapter Playlist: • Hartree-Fock Theory
Other Courses: • PChem Course Intros
Channel Info: • About TMP Chem
-- Social Links --
Facebook: / tmpchem
Twitter: / tmpchem
LinkedIn: / tmpchem
Imgur: tmpchem.imgur.com
GitHub: www.github.com...
-- Equipment --
Microphone: Blue Yeti USB Microphone
Drawing Tablet: Wacom Intuos Pen and Touch Small
Drawing Program: Autodesk Sketchbook Express
Screen Capture: Corel Visual Studio Pro X8

[@QueenOfMettall]

This is the best series I have watched on CompChem. Everything is very clear, thank you!

[@eldensummers8377]

You genuinly make me wish you were my prof, everything is so much clearer after i watch your videos....
Thanks dude

[@BhattTapasvi]

Well I won't wish that. Cause in my college, there is relative grading. So everyone would understand everything. I like this way more.

[@kaiZhang-l7g]

really appreciate your video. Great work !

[@Asma-no9zh]

Koh sham prove plz provide is

[@Asma-no9zh]

us*

[@apburner1]

First.