Journal
/
화학
/
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
JoVE 신문
화학
JoVE 비디오를 활용하시려면 도서관을 통한 기관 구독이 필요합니다.  전체 비디오를 보시려면 로그인하거나 무료 트라이얼을 시작하세요.
JoVE 신문 화학
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

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

Summary

Automatically generated

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 HamiltoniansOptical Absorption SpectraOptoelectronic PropertiesMolecular AggregatesMolecular SolidsQuantum Chemical CalculationsPhotovoltaic CellsOptical SwitchesFiber Optic CommunicationsGetMonomers.pyChargeOptions.txtGaussian Density Functional TheoryLong Range Corrected Density FunctionalGetCHelpG.py

Read Article

Cite this Article

Kocherzhenko, A. A., Shedge, S. V., Germaux, P. F., Heidarian, M., Isborn, C. M. Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids. J. Vis. Exp. (159), e60598, doi:10.3791/60598 (2020).

Download .ris file

Copy

Share Video

.

Copy