Рет қаралды 14,641
Short lecture on the anti-symmetry principle for electronic wavefunctions.
One of the primary problems with approximating an N-electron wavefunction as a Hartree product of one-electron spin orbitals does not comply with the antisymmetry principle: wavefunctions must switch signs under the exchange of any pair of electrons. The antisymmetry principle fixes the problem that the molecular Hamiltonian does not contain any spin dependence, and all spin-dependence can be embedded within anitsymmetry requirements. Antisymmetry can be achieved by using a linear combination of all possible permutations of electrons and spin orbitals with a sign swap for every index pair exchange. Additionally these permutations must be normalized with the number of terms.
Notes Slide: i.imgur.com/Xj...
-- About TMP Chem --
All TMP Chem content is free for everyone, everywhere, and created independently by Trent Parker.
Email: tmpchemistry@gmail.com
-- 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