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Negative eigenvalue - PowerPoint PPT Presentation

Jack Simons , Henry Eyring Scientist and Professor Chemistry Department University of Utah

Electronic Structure Theory TSTC Session 8. 1. Born-Oppenheimer approx.- energy surfaces 2. Mean-field (Hartree-Fock) theory- orbitals 3. Pros and cons of HF- RHF, UHF 4. Beyond HF- why? 5. First, one usually does HF-how? 6. Basis sets and notations 7. MPn, MCSCF, CI, CC, DFT

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351 views • 26 slides

Day 2 Differential Equations

Day 2 Differential Equations. See http://mathworld.wolfram.com/PhasePortrait.html for more details. Stability. A Dynamic System is said to be stable if the system approaches zero as t ? ?. What conditions are necessary for a system to be stable?

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560 views • 25 slides

Jack Simons , Henry Eyring Scientist and Professor Chemistry Department University of Utah

Electronic Structure Theory Session 12. Jack Simons , Henry Eyring Scientist and Professor Chemistry Department University of Utah.

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315 views • 23 slides

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Negative eigenvalue - PowerPoint PPT Presentation

Jack Simons , Henry Eyring Scientist and Professor Chemistry Department University of Utah

Day 2 Differential Equations

Jack Simons , Henry Eyring Scientist and Professor Chemistry Department University of Utah