scholarly journals Numerical study of Holstein's molecular-crystal model: Adiabatic limit and influence of phonon dispersion

1984 ◽  
Vol 30 (4) ◽  
pp. 1671-1678 ◽  
Author(s):  
Hans De Raedt ◽  
Ad Lagendijk
Keyword(s):  
Molecular Crystal ◽  
Phonon Dispersion ◽  
Numerical Study ◽  
Adiabatic Limit ◽  
Crystal Model

scholarly journals Self-trapping line of the Holstein molecular crystal model in one dimension

1999 ◽  
Vol 60 (7) ◽  
pp. 4618-4623 ◽  
Author(s):  
Aldo H. Romero ◽  
David W. Brown ◽  
Katja Lindenberg
Keyword(s):  
Molecular Crystal ◽  
One Dimension ◽  
Self Trapping ◽  
Crystal Model

scholarly journals Polaron dynamics with off-diagonal coupling: beyond the Ehrenfest approximation

2017 ◽  
Vol 19 (2) ◽  
pp. 1655-1668 ◽  
Author(s):  
Zhongkai Huang ◽  
Lu Wang ◽  
Changqin Wu ◽  
Lipeng Chen ◽  
Frank Grossmann ◽  
...  
Keyword(s):  
Variational Principle ◽  
Molecular Crystal ◽  
Time Dependent ◽  
Phonon Coupling ◽  
One Dimensional ◽  
Crystal Model ◽  
Polaron Dynamics ◽  
Diagonal Coupling

Treated traditionally by the Ehrenfest approximation, the dynamics of a one-dimensional molecular crystal model with off-diagonal exciton–phonon coupling is investigated in this work using the Dirac–Frenkel time-dependent variational principle with the multi-D2Ansatz.

scholarly journals Variational approach for the Holstein molecular-crystal model

1999 ◽  
Vol 60 (22) ◽  
pp. 15163-15172 ◽  
Author(s):  
V. Cataudella ◽  
G. De Filippis ◽  
G. Iadonisi
Keyword(s):  
Variational Approach ◽  
Molecular Crystal ◽  
Crystal Model

LATTICE DYNAMICS OF α-LiIO3

1991 ◽  
Vol 05 (17) ◽  
pp. 1167-1173
Author(s):  
YIMIN JIANG ◽  
HONG LIN ◽  
CHENG GOU ◽  
SHIWEN NIU
Keyword(s):  
Lattice Dynamics ◽  
Molecular Crystal ◽  
Field Model ◽  
Phonon Dispersion ◽  
Normal Modes ◽  
Coulomb Force ◽  
Strong Mixing ◽  
Phonon Dispersion Curves ◽  
Good Agreement ◽  
Rigid Ion Model

The phonon dispersion curves of α- LiIO 3, which exhibit a characteristic molecular crystal behaviour, are calculated on the basis of a modified rigid-ion model in which a Born-Mayer potential is used for short-range repulsive interactions between Li ions and [Formula: see text] groups and a central force constant model is used for internal interactions in the [Formula: see text] group. The computed phonon frequencies are in good agreement with those of Raman, infrared and neutron measurements. The calculations show a strong mixing of the pre-normal modes given by Crettez et al.,4 therefore indicating that the long-range Coulomb force may change greatly the assignments previously obtained from a force-field model.

Converging toward a practical solution of the Holstein molecular crystal model

1998 ◽  
Vol 109 (16) ◽  
pp. 6540-6549 ◽  
Author(s):  
Aldo H. Romero ◽  
David W. Brown ◽  
Katja Lindenberg
Keyword(s):  
Molecular Crystal ◽  
Practical Solution ◽  
Crystal Model
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