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Small Molecules in Intense Lasers via Time-Dependent Density Functional Theory
Simulate the behavior of a hydrogen molecule when illuminated by an intense laser field.
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GUI Interface powered by Rappture, developed by Michael J. McLennan, Purdue University (2005)Credits
Developed by Marcela Meza from University of Texas at El Paso, while doing research at Purdue University.
Thanks to Derrick Kearney for useful input.
Sponsored by
Summer Undergraduate Research Fellowship (SURF)
Network for Computational Nanotechnology (NCN) at nanoHUB.org
References
A. Castro, H. Appel, Micael Oliveira, C.A. Rozzi, X. Andrade, F. Lorenzen, M.A.L. Marques, E.K.U. Gross, and A. Rubio, octopus: a tool for the application of time-dependent density functional theory, Phys. Stat. Sol. B 243 2465-2488 (2006) PSSB
M.A.L. Marques, Alberto Castro, George F. Bertsch, and Angel Rubio, octopus: a first-principles tool for excited electron-ion dynamics, Comput. Phys. Commun. 151 60-78 (2003) Science Direct
Time-dependent density functional theory, M.A.L. Marques, C. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E.K.U. Gross (Eds.), Lecture Notes in Physics, Vol. 706, Springer, Berlin, (2006), ISBN: 978-3-540-35422-2
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