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Variational band theory of vibronic polarons in crystals. III. Numerical calculations
M. Georgiev, A. G. Andreev, M. D. Ivanovich
In the preceding Part II, we derived variational equations for the phonon Fourier amplitudes and for the Fourier amplitudes of the fractional contribution of the electronic bands t…
Variational band theory of vibronic polarons in crystals. II. Extending Merrifield's Ansatz
D. W. Brown, K. Lindenberg, M. Georgiev
Merrifield's Variational Ansatz is extended so as to cover the case of two electronic bands mixed by an Einstein phonon. The Hamiltonian is composed of the local and kinetic (hoppi…
Variational band theory of vibronic polarons in crystals. I. Preamble
M. Georgiev
We review the basic theoretical background for working out a variational band solution for vibronic polarons in crystals. It is based on the Lee-Low-Pines proposal as extended by T…
Adiabatic theory of off-center vibronic polarons: Local dynamics on a planar lattice
M. Georgiev
We review basic theoretical concepts and developments regarding the local and itinerant properties of off-center vibronic polarons in crystals. These include the electron self-trap…
Adiabatic theory of off-center vibronic polarons: Local dynamics and itinerant features along a linear chain
M. Georgiev, M. Borissov
The vibronic mixing by an odd-parity vibrational mode of two opposite-parity nearly-degenerate electronic states at a molecular site may drive the small polaron off-center. An asso…
Itinerant vibronic polarons: A Merrifield approach I. Low energy range calculations
S. G. Tsintsarska, M. D. Ivanovich, A. Andreev +3
We extend Merrifield's Variational Ansatz in the variational band theory of polarons to cover a frame of two electronic bands mixed by an Einstein phonon. The Hamiltonian is compos…