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Lecture 00-Introduction to Jack Simons Electronic Structure Theory

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Published on Apr 2, 2011

Complete list of Jack Simons Electronic Structure Theory lecture series on YouTube:

(1)Jack Simons Electronic Structure Theory- Session 1- Born-Oppenheimer approximation
http://www.youtube.com/watch?v=Z5cq7J...
(2)Jack Simons Electronic Structure Theory- Session 2- Hartree-Fock
http://www.youtube.com/watch?v=AomWdf...
(3)Jack Simons Electronic Structure Theory- Session 3- Dynamical pair correlations
http://www.youtube.com/watch?v=kudUz0...
(4)Jack Simons Electronic Structure Theory- Session 4- Linear combinations of atomic orbitals
http://www.youtube.com/watch?v=Cuky-D...
(5)Jack Simons Electronic Structure Theory- Session 5- Basis sets
http://www.youtube.com/watch?v=q_tjk3...
(6)Jack Simons Electronic Structure Theory- Session 6- Møller-Plesset perturbation theory
http://www.youtube.com/watch?v=ShORfI...
(7)Jack Simons Electronic Structure Theory- Session 7- Configuration interaction theory
http://www.youtube.com/watch?v=CveUhe...
(8)Jack Simons Electronic Structure Theory- Session 8- Coupled-cluster theory
http://www.youtube.com/watch?v=HTDgXc...
(9)Jack Simons Electronic Structure Theory- Session 9- Metastable anions
http://www.youtube.com/watch?v=lQ2hO_...
(10)Jack Simons Electronic Structure Theory- Session 10- Error trends
http://www.youtube.com/watch?v=9NmEQf...
(11)Jack Simons Electronic Structure Theory- Session 11- Density functional theory
http://www.youtube.com/watch?v=3Kv-m4...
(12)Jack Simons Electronic Structure Theory- Session 12- Gradients and reaction paths
http://www.youtube.com/watch?v=HUUKsG...

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Original page of the Electronic Structure Theory lecture series can be found:

http://www.hec.utah.edu/ESTheory/

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These lectures are intended to provide graduate students in chemistry and related fields, experimental chemists, and theoretical chemists specializing in other sub-disciplines with an introduction to the underpinnings of electronic structure theory. I have tried to present the material with a focus on physical and conceptual content while keeping the mathematical level appropriate to the broad audience just described. For those who want access to additional information at or a bit beyond the level of these lectures, I can recommend the following texts:

T. Helgaker, J. Olsen, and P. Jorgensen, Molecular Electronic Structure Theory, Wiley (2000). I think this is the best book to use as a source for further details about the methods introduced in these lectures.

J. Simons, and J. Nichols, Quantum Mechanics in Chemistry, Oxford University Press (1997);

J. Simons, An Introduction to Theoretical Chemistry, Cambridge University Press (2003).

These two books are good at explaining the concepts underlying the equations, offer good physical pictures of what the theories contain, and make connections to experiments.

J. Simons, Energetic Principles of Chemical Reactions, Jones and Bartlett Publishers, Inc. (1983). This is a good source for making connections between electronic structure theory and reaction dynamics.

Other good sources are the web site http://simons.hec.utah.edu/TheoryPage , as well as that of the theoretical chemistry Summer School http://simons.hec.utah.edu/school where lectures on electronic structure theory, dynamics, and statistical mechanics appear.

I hope you enjoy and benefit from these lectures and I wish you the very best in your own scholarly career.


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/publicatio... ), and he has mentored more than 65 Ph. D. and postdoctoral students at Utah.

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