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Quantum Chemistry 9.11 - Post Hartree-Fock Methods

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Quantum Chemistry 9.11 - Post Hartree-Fock Methods

14 779 просмотров · 10 лет назад
TMP Chem
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14 779 просмотров · 10 лет назад
Short lecture on post-Hartree-Fock methods for atomic energies. The accuracy of an electronic structure calculation depends on two factors: the size of the atomic orbital basis set, and the accuracy of the electron repulsion method. Basis sets lie on a continuum from the minimal basis set to the complete basis set. Electron repulsion methods lie on a continuum from simplex to complex started at Hartree-Fock and ending at full Configuration Interaction. Notes Slide: http://i.imgur.com/nKgRdV3.png -- About TMP Chem -- All TMP Chem content is free for everyone, everywhere, and created independently by Trent Parker. Email: tmpchemistry@gmail.com -- Video Links -- Chapter Playlist:    • Many-Electron Atoms   Course Playlist:    • Quantum Chemistry and Spectroscopy   Course Review:    • Quantum Chemistry Chapter Reviews   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