Computational Chemistry 4.18 - Functional Variation
Short lecture on variational minimization of the energy functional in quantum mechanics.
Just as the linear variational method can be derived from differentiating coefficients in a basis set expansion, so to do we arrive at this result by minimizing the first variation of an energy functional. This video goes through the derivation where we set the first variation of the energy equal to zero, including an additional term to enforce an orthonormal spin orbitals as the variations occur. This results in an expression where the Hamiltonian matrix acting on the basis function coefficient eigenvector equals the molecular energy times the overlap matrix acting on the same vector.
Notes Slide: https://i.imgur.com/7SjbYhg.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 4.18 - Functional Variation 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 9,018 once and liked it 99 people.