Extending the Predictive Power and Scope ofElectronic Structure Theory and QuantumTransportNicolas PoilvertM.S., Quantum and Statistical Physicscole Normale Supérieure, 2006Engineering Diploma, Mathematics and Physicscole Polytechnique, 2005Submitted to the Department of Materials Science and Engineeringin partial fulfillment of the requirements for the degree ofD OCTOR OF P HILOSOPHY IN M ATERIALS S CIENCE ANDE NGINEERINGat theM ASSACHUSETTS I NSTITUTE OF T ECHNOLOGYJune 2011 MMXI Massachusetts Inst...

the poor explanatory power of quantum theory to its unparalleled predictive capacity. However

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