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. 2021 Nov 25;9:746162. doi: 10.3389/fchem.2021.746162

FIGURE 4.

FIGURE 4

(A) UV/Vis spectra of tetracene as predicted at different magnetic field strengths between 0 T and 9,000 T. Solid lines denote calculations using the CD-evGW (10)/BSE@BHLYP method while dashed lines denote CD-evGW (10)/BSE@CAM-B3LYP calculations. (B) Wavelengths of the relevant lowest vertical excitations of tetracene at different magnetic field strengths between 0 T and 9,000 T. The p-excitation, which is predominantly responsible for the colour of tetracene, is most affected by the external field. Solid lines denote calculations using the CD-evGW (10)/BSE@BHLYP method while dashed lines denote CD-evGW (10)/BSE@CAM-B3LYP calculations. (C) Colour of tetracene as predicted at the CD-evGW (10)/BSE@CAM-B3LYP level of theory at different magnetic field strengths between 0 T and 9,000 T. To obtain the depicted colours, the vertical excitations of the optical spectrum were broadened by 0.15 eV and converted into a RGB colour code while the intensity was scaled relative to the zero-field by integrating over the visible region of the spectrum.