Computational Chemistry 4.12 - Two-Electron Integrals
Short lecture on two-electron integrals of spin orbital expectation values.
Two-electron integrals are molecular total energy terms which result due to the repulsion of all electron pairs. These integrals consist of the spin orbital of electron 1 and electron 2 operated on by the 1/r12 operator, as well as two more complex conjugate spin orbitals, all integrated over the coordinates of electrons 1 and 2. Physicist's notation for two-electron integrals keeps the two complex conjugates on the left and the spin orbitals on the right of the 1/r12 operator. Chemist's notation keeps electron 1 on the left and electron 2 on the right. Two kinds of integrals result from the energy expectation value: Coulomb and exchange integrals. The two-electron energy of a molecular system is the difference of the Coulomb and exchange integral summed over all pairs of electrons.
Notes Slide: https://i.imgur.com/sYLzNcN.png
-- About TMP Chem --
All TMP Chem content is free for everyone, everywhere, and created independently by Trent Parker.
Email: [email protected]
-- 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: https://tmpchem.imgur.com
GitHub: https://www.github.com/tmpchem
-- 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
Watch video Computational Chemistry 4.12 - Two-Electron Integrals online without registration, duration hours minute second in high quality. This video was added by user TMP Chem 24 March 2018, don't forget to share it with your friends and acquaintances, it has been viewed on our site 16,140 once and liked it 137 people.