Time-dependent density functional theory for open quantum systems and quantum computation
Contributors: Aspuru-Guzik, Alan; Aspuru-Guzik, Alan; Cohen, Adam E.; Heller, Eric J.; Maitra, Neepa T.
Published: 2012
Language: eng
Description: First-principles electronic structure theory explains properties of atoms, molecules and solids from underlying physical principles without input from empirical parameters. Time-dependent density functional theory (TDDFT) has emerged as arguably the most widely used first-principles method for describing the time-dependent quantum mechanics of many-electron systems. In this thesis, we will show how the fundamental principles of TDDFT can be extended and applied in two novel directions: The theory of open quantum systems (OQS) and quantum computation (QC).
Notes: Keywords: open quantum systems, quantum computing, TDDFT.

Thesis Ph.D. Harvard University 2012