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0030299802
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The radiative process can be as important as the nonradiative process. In bacteriorhodopsin, the radiative process occurs on the same time scale as the photoproduct appears [see K. C. Hasson et al., Proc. Natl. Acad. Sci. USA 93, 15124 (1996)].
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Hasson, K.C.1
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The radiative rate is [1/(0.5 ps)] at room temperature (Ref. 17) [1/(40 ps)] at 90 K and [1/(60 ps)] at 70 K [R. R. Alfano et at., Biophys. J. 16, 541 (1976);
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S. L. Shapiro et al., Biophys. J. ibid. 23, 383 (1978)], which is comparable to the nonradiative rate [1/(1 ps)].
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Shapiro, S.L.1
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15
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85034519981
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note
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Actually, we initially also attempted to employ density functional theory to calculate potentials, as it is faster and in some senses includes the exchange interaction, which seems to be superior to the Hartree-Fock approximation. Our calculation showed that even with the best density functional, the total energy is lower than that of the HF calculation, but the wavefunction was found to be poor after we checked the Mulliken population for each atom against other higher-level calculations. This certainly influences the dipole transition elements.
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18
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85034493338
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note
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The authors thank one of the referees for pointing this out to them.
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20
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85034516897
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note
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Transition elements smaller than 0.01 D are not shown.
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21
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85034500440
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note
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In retinal whether it goes to the cis or trans configuration also depends on surrounding proteins, which regulate different barriers.
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22
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0032549731
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F. Gai, K. C. Hasson, J. C. McDonald, and P. A. Anfinrud, Science 279, 1886 (1998).
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Gai, F.1
Hasson, K.C.2
McDonald, J.C.3
Anfinrud, P.A.4
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