[Illinois] PHYS466 2013 Lecture 7: Atomic Potential

By David M. Ceperley

Department of Physics, University of Illinois at Urbana-Champaign, Urbana, IL

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Abstract


Bio

Professor Ceperley received his BS in physics from the University of Michigan in 1971 and his Ph.D. in physics from Cornell University in 1976. After one year at the University of Paris and a second postdoc at Rutgers University, he worked as a staff scientist at both Lawrence Berkeley and Lawrence Livermore National Laboratories. In 1987, he joined the Department of Physics at Illinois. Professor Ceperley is a staff scientist at the National Center for Supercomputing Applications at Illinois.

Professor Ceperley's work can be broadly classified into technical contributions to quantum Monte Carlo methods and contributions to our physical or formal understanding of quantum many-body systems. His most important contribution is his calculation of the energy of the electron gas, providing basic input for most numerical calculations of electronic structure. He was one of the pioneers in the development and application of path integral Monte Carlo methods for quantum systems at finite temperature, such as superfluid helium and hydrogen under extreme conditions.

Professor Ceperley is a Fellow of the American Physical Society and a member of the American Academy of Arts and Sciences. He was elected to the National Academy of Sciences in 2006.

Cite this work

Researchers should cite this work as follows:

  • David M. Ceperley (2013), "[Illinois] PHYS466 2013 Lecture 7: Atomic Potential," http://nanohub.org/resources/16721.

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Location

University of Illinois at Urbana-Champaign, Urbana, IL

Submitter

NanoBio Node, Obaid Sarvana, George Daley, Mor Gueye

University of Illinois at Urbana-Champaign

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[Illinois] PHYS 466 Lecture 7: Atomic Potential
  • Fit for a Born potential 1. Fit for a Born potential 0
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  • Slide 2: Untitled 2. Slide 2: Untitled 296.73331761377034
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  • Fit for a Born potential 3. Fit for a Born potential 415.91345020045594
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  • Various Other Empirical Potentials 4. Various Other Empirical Potent… 999.92783586196049
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  • Arbitrary Pair Potential 5. Arbitrary Pair Potential 1175.3131082542352
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  • Failure of pair potentials 6. Failure of pair potentials 1470.5150786975851
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  • Metallic potentials 7. Metallic potentials 1661.6953021746965
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  • Embedded-atom potential 8. Embedded-atom potential 1783.2119027594215
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  • Accuracy of Embedded Atom Potentials 9. Accuracy of Embedded Atom Pote… 1988.2869558252235
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  • Accuracy of Embedded Atom Potentials 10. Accuracy of Embedded Atom Pote… 2047.0241899955945
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  • Modified Embedded Atom Method 11. Modified Embedded Atom Method 2069.5085506027476
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  • Silicon potential 12. Silicon potential 2069.5085506027476
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  • Hydrocarbon potential 13. Hydrocarbon potential 2069.5085506027476
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  • More potentials for organic molecules 14. More potentials for organic mo… 2069.5085506027476
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  • Water potentials 15. Water potentials 2069.5085506027476
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  • Potentials for Charged Systems 16. Potentials for Charged Systems 2069.5085506027476
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  • Problems with potentials 17. Problems with potentials 2069.5085506027476
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  • Summary of semi-empirical potentials 18. Summary of semi-empirical pote… 2069.5085506027476
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