Quantum dynamics of the prototype polaron model

摘要: The ab initio description of evolutionary processes in extended electron-phonon systems (polaronic transport, excitonic transfer, etc) up to the present is beyond numerical accessibility, since it requires simultaneous knowledge all eigenfunctions and eigenvalues. Therefore, usually rough approximations are made, such as a semiclassical treatment. However, we have shown recent paper, full quantum-mechanical treatment drastically deviates from approximation (even qualitative manner). In concept discussed here unitary product transformations introduced, constituents which account for two antagonistic tendencies inherent every coupled Hamiltonian. We apply our procedure concrete case dimer-oscillator model by choosing each respectively one parameter operator, that analytical diagonalization reached opposing limits Hamiltonian constituents. intermediate regime parameters transformation suitably optimized. this manner generation spectrum eigensolutions involves analytically fixed only. behaviour resulting contrasted with exact result well approach also more simple (`displacive') frequently used literature. It calculation approaches satisfactory intrinsic physical regimes (coupling transfer) overcomes drastic shortcomings previous calculations.