Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Aleksey A. Kocherzhenko; Sapana  V. Shedge; Pauline  F. Germaux; Mohammad Heidarian; Christine  M. Isborn

doi:10.3791/60598

/

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

JoVE Journal
化学

このコンテンツを視聴するには、JoVE 購読が必要です。 サインイン又は無料トライアルを申し込む。

JoVE Journal 化学

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

8,170 Views

•

08:04 min

•

May 27, 2020

DOI:

10.3791/60598-v

DOI:

10.3791/60598-v

•

08:04 min

May 27, 2020

•

1 Views

Aleksey A. Kocherzhenko¹, Sapana V. Shedge², Pauline F. Germaux¹, Mohammad Heidarian¹, Christine M. Isborn²

¹Department of Chemistry and Biochemistry,California State University, East Bay, ²Department of Chemistry and Chemical Biology,University of California, Merced

概要

Here, we present a protocol for parametrizing a tight-binding excitonic Hamiltonian for calculating optical absorption spectra and optoelectronic properties of molecular materials from first-principles quantum chemical calculations.

Explore More Videos

Excitonic Hamiltonians Optical Absorption Spectra Optoelectronic Properties Molecular Aggregates Molecular Solids Quantum Chemical Calculations Photovoltaic Cells Optical Switches Fiber Optic Communications GetMonomers.py ChargeOptions.txt Gaussian Density Functional Theory Long Range Corrected Density Functional GetCHelpG.py

Read Article

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

概要

Automatically generated

Explore More Videos