Browsing FAS Scholarly Articles by Keyword "electronic structure"
Now showing items 1-5 of 5
-
Exciton Coherence Lifetimes from Electronic Structure
(American Institute of Physics, 2012-04-06)We model the coherent energy transfer of an electronic excitation within covalently linked aromatic homodimers from first-principles. Our results shed light on whether commonly used models of the bath calculated via detailed ... -
Polynomial-Time Quantum Algorithm for the Simulation of Chemical Dynamics
(National Academy of Sciences, 2008)The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can be applied only to small systems. By contrast, we ... -
Quantum Computing for Molecular Energy Simulations
(2010)Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally ... -
Simulation of Electronic Structure Hamiltonians Using Quantum Computers
(Taylor & Francis, 2011)Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally ... -
Spectroscopic Scanning Tunneling Microscopy Insights into Fe-based Superconductors
(Institute of Physics, 2011)In the first three years since the discovery of Fe-based high Tc superconductors, scanning tunneling microscopy (STM) and spectroscopy have shed light on three important questions. First, STM has demonstrated the complexity ...