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![]() Date: 2013-09-03 08:41:19Chemistry Physics Quantum mechanics Density functional theory Quantum chemistry Atomic physics Computational chemistry Theoretical chemistry HartreeFock method Jellium KohnSham equations Crystal | Add to Reading List |
![]() | Density Functional Theory for EmergentsDocID: 1r6Kf - View Document |
![]() | User’s Guide and Developer’s Manual Preview July 27, 2016 Online: https://svn.qmcpack.org/svn/trunk/manual/qmcpack_manual.pdf Contents 1 IntroductionDocID: 1q6Lq - View Document |
![]() | Theory and Practice of Density-Functional TheoryDocID: 1plwJ - View Document |
![]() | Electronic Structure of Perovskites: Lessons from Hybrid FunctionalsDocID: 1peJJ - View Document |
![]() | DFT in depth the exchange-correlation term Robin HIRSCHL ¨ Materialphysik Institut fur and Center for Computational Material ScienceDocID: 1g12V - View Document |