Computation of Dielectric Response in Molecular Solids for High Capacitance Organic Dielectrics

• Published in: Accounts of chemical research Vol. 49; no. 9; pp. 1614 - 1623
• Main Authors: Heitzer, Henry M, Marks, Tobin J, Ratner, Mark A
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 20.09.2016

The dielectric response of a material is central to numerous processes spanning the fields of chemistry, materials science, biology, and physics. Despite this broad importance across these disciplines, describing the dielectric environment of a molecular system at the level of first-principles theor...