Computational Chemistry 4.9 - N-Electron Wavefunctions
Short lecture on the wavefunction of a system of N electrons.
A complete set of spin orbitals can represent any possible N-electron wavefunction. Through linear combinations of the spin orbitals we can represent any possible set of spin orbitals, and through linear combinations of the resulting Slater determinants we can represent any possible N-electron wavefunction. An N-electron wavefunction is a linear combination of the ground-state Slater determinant and all possible excited state determinants (singly excited, doubly excited, ... , N-fold excited). There are a quadratic number of singly excited Slater determinants, a quartic number of doubly excited, ..., and an exponential number of all possible determinants. Configuration Interaction (CI) methods includes excited determinants up to an arbitrarily determined excitation level, with N-fold being called "full CI".
Notes Slide: https://i.imgur.com/x2rU1E8.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
Смотрите видео Computational Chemistry 4.9 - N-Electron Wavefunctions онлайн без регистрации, длительностью часов минут секунд в хорошем качестве. Это видео добавил пользователь TMP Chem 24 Март 2018, не забудьте поделиться им ссылкой с друзьями и знакомыми, на нашем сайте его посмотрели 12,30 раз и оно понравилось 12 людям.