Uploaded by ESTLecture2009 on Mar 28, 2011
Determining the CI amplitudes using Moller-Plesset perturbation theory (MPn); Brillouin theorem; strengths and weaknesses of MPn; non-convergence of MPn can give crazy results.
(1)Jack Simons Electronic Structure Theory- Session 1- Born-Oppenheimer approximation
http://www.youtube.com/watch?v=Z5cq7JpsG8I
(2)Jack Simons Electronic Structure Theory- Session 2- Hartree-Fock
http://www.youtube.com/watch?v=AomWdf0g-e0
(3)Jack Simons Electronic Structure Theory- Session 3- Dynamical pair correlations
http://www.youtube.com/watch?v=kudUz0ErM7Y
(4)Jack Simons Electronic Structure Theory- Session 4- Linear combinations of atomic orbitals
http://www.youtube.com/watch?v=Cuky-DsqwPM
(5)Jack Simons Electronic Structure Theory- Session 5- Basis sets
http://www.youtube.com/watch?v=q_tjk3YvvjE
(6)Jack Simons Electronic Structure Theory- Session 6- Møller-Plesset perturbation theory
http://www.youtube.com/watch?v=ShORfIv0x4s
(7)Jack Simons Electronic Structure Theory- Session 7- Configuration interaction theory
http://www.youtube.com/watch?v=CveUhe4gbBg
(8)Jack Simons Electronic Structure Theory- Session 8- Coupled-cluster theory
http://www.youtube.com/watch?v=HTDgXcPCqOE
(9)Jack Simons Electronic Structure Theory- Session 9- Metastable anions
http://www.youtube.com/watch?v=lQ2hO_qY8oA
(10)Jack Simons Electronic Structure Theory- Session 10- Error trends
http://www.youtube.com/watch?v=9NmEQfN0BYc
(11)Jack Simons Electronic Structure Theory- Session 11- Density functional theory
http://www.youtube.com/watch?v=3Kv-m4XeX-c
(12)Jack Simons Electronic Structure Theory- Session 12- Gradients and reaction paths
http://www.youtube.com/watch?v=HUUKsGTdbk8
About Jack:
Jack Simons is Henry Erying Scientist and Professor of Chemistry at the University of Utah. He grew up in Girard, Ohio, earned his B. S. degree in chemistry at Case institute of Technology in 1967 and his Ph. D. in theoretical chemistry at the University of Wisconsin in 1970. After a postdoctoral year at MIT, he joined the Utah Chemistry faculty in 1971. Jack is the author of more than 320 papers, 5 textbooks, and several web sites on theory ( http://simons.hec.utah.edu/publications.html ), and he has mentored more than 65 Ph. D. and postdoctoral students at Utah.
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- Electronic Structure Theory
- Computation Chemistry
- Quantum Mechanics
- Theoretical Chemistry
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