scholarly journals Triplet Excitation Energy Transfer with Constrained Density Functional Theory

2010 ◽  
Vol 114 (48) ◽  
pp. 20756-20763 ◽  
Author(s):  
Sina Yeganeh ◽  
Troy Van Voorhis
Keyword(s):  
Density Functional Theory ◽  
Energy Transfer ◽  
Excitation Energy ◽  
Density Functional ◽  
Excitation Energy Transfer ◽  
Functional Theory ◽  
Triplet Excitation

Photophysical properties of acetylene-linked syn bimane oligomers: a molecular photonic wire

2018 ◽  
Vol 20 (2) ◽  
pp. 1150-1163
Author(s):  
T. S. Chwee ◽  
Z. C. Wong ◽  
M. B. Sullivan ◽  
W. Y. Fan
Keyword(s):  
Density Functional Theory ◽  
Wave Function ◽  
Energy Transfer ◽  
Excitation Energy ◽  
Density Functional ◽  
Photophysical Properties ◽  
Excitation Energy Transfer ◽  
Computational Studies ◽  
Functional Theory ◽  
Photonic Wire

Computational studies using correlated wave function methods and density functional theory were carried out on a series of acetylene-linked bimane oligomers with particular emphasis on their excitonic properties and implications for intra-chain excitation energy transfer (EET).

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