'Electronic wave functions' presentation slideshows

New questions about Tautomerism in Cytosine

847 views • 56 slides

Wave function approaches to non-adiabatic systems

Wave function approaches to non-adiabatic systems. Norm Tubman. Full electron ion dynamics with H 2. Quantum mechanics only for the electrons. Electrons. Ions. Clamped nuclei Energy:-1.7447 Equilibrium distance: 1.4011. We can write down full Hamiltonian for the electrons and the ions .

597 views • 42 slides

1st Summer School in Theoretical and Computational Chemistry of Catalonia July 25-29, 2007

574 views • 42 slides

1st Summer School in Theoretical and Computational Chemistry of Catalonia July 25-29, 2007

567 views • 42 slides

New Developments in Molecular Orbital Theory

New Developments in Molecular Orbital Theory. 20131006 ???. The use of molecular symmetry in the HF treatment of a closed-shell ground state. When a molecule has symmetry, group theory provides a powerful means of simplifying the problem of finding the exact electronic wave functions.

305 views • 20 slides

Physics 451

Physics 451. Quantum mechanics I Fall 2012. Sep 10, 2012 Karine Chesnel. Homework. Homework 4: T Sep 11 by 7pm Pb 1.9, 1.14, 2.1, 2.2 Homework 5: Th Sep 13 by 7pm Pb 2.4, 2.5, 2.7, 2.8. Quantum mechanics. Announcements. Quantum mechanics.

255 views • 16 slides

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

Electronic Structure Theory Contents. Jack Simons , Henry Eyring Scientist and Professor Chemistry Department University of Utah. To whom are these lectures directed?

304 views • 6 slides