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The top documents tagged [ks orbitals]
(a short) CPMD tutorial Acknowledgments: This tutorial is partially based on that initially put together with Carme Rovira, Roger Rousseau, Axel Kohlmeyer
227 views
Shruba Gangopadhyay 1,2 & Artëm E. Masunov 1,2,3 1 NanoScience Technology Center 2 Department of Chemistry 3 Department of Physics University of Central
219 views
ISSP I1 ISSPI: Time-dependent DFT Kieron Burke and friends UC Irvine Physics and Chemistry Departments
224 views
ISSPI: Time-dependent DFT
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Shruba Gangopadhyay 1,2 & Artëm E. Masunov 1,2,3 1 NanoScience Technology Center
31 views