WebA. S. Davydov's theory of solitons as a mechanism for energy storage and transport in protein. Particular attention is paid to the construction of quantum states that contain N … WebFeb 19, 2009 · The current status of the Davydov/Scott model for energy transfer in proteins is reviewed. After a brief introduction to the theoretical framework and to the …
Davydov-type excitonic effects on the absorption spectra of …
WebApr 14, 2009 · The Davydov or exciton splitting of vertical excitation energies is commonly used to estimate the excitation energy transfer rate between chromophores. Here we … WebJun 11, 2024 · The Davydov soliton, defined as the exact one-quantum ground state of the Davydov Hamiltonian, is shown to disappear in the subpicosecond timescale. However, in contrast with previous simulations, the quasiparticle states are essentially localised at 310 K, and the Davydov model remains a possible mechanism for energy transfer in proteins. bookingline plc andrew reynolds
Phys. Rev. E 56, 894 (1997) - Davydov model: The …
WebFeb 18, 2024 · Exciton formation leads to J-bands in solid pentacene. Describing these exciton bands represents a challenge for both time-dependent (TD) density-functional theory (DFT) and for its semiempirical analogue, namely for TD density-functional tight binding (DFTB) for three reasons (i) solid pentacene and pentacene aggregates are … WebJul 1, 1976 · Davydov's theory of factor group splitting in molecular crystals has been revisited. It is observed that the dipole-dipole interaction alone is not sufficient to account for the splitting in some simple crystals. The effect of multipole interactions in the electrostatic energy including those which may be present even before the vibrational ... WebA. S. Davydov's theory of solitons as a mechanism for energy storage and transport in protein. Particular attention is paid to the construction of quantum states that contain N amide-I vibrational quanta. It is noted that the 'N = 2' state is almost exactly resonant with the free energy that is released upon hydrolysis of adenosine triphosphate. 1. booking lisbona centro