Temperature-activated transition of positronium from self-trapped to delocalized state inCaF2

2007 ◽  
Vol 76 (2) ◽  
Author(s):  
K. Inoue ◽  
N. Suzuki ◽  
I. V. Bondarev ◽  
T. Hyodo
Keyword(s):  
Delocalized State

Charge-Delocalized State and Coherent Vibrational Dynamics in Rigid PBI H-Aggregates

2021 ◽  
Author(s):  
Seongsoo Kang ◽  
Taeyeon Kim ◽  
Yongseok Hong ◽  
Frank Würthner ◽  
Dongho Kim
Keyword(s):  
Delocalized State ◽  
Vibrational Dynamics

scholarly journals Numerical Simulation of Small Radius Polaron in a Chain with Random Perturbations

2019 ◽  
Vol 14 (1) ◽  
pp. 126-136 ◽  
Author(s):  
N.S. Fialko ◽  
V.D. Lakhno
Keyword(s):  
Electric Field ◽  
Constant Electric Field ◽  
Maximum Modulus ◽  
Small Radius ◽  
Delocalized State ◽  
Maximum Probability ◽  
Constant Intensity ◽  
Random Site ◽  
A Chain ◽  
A Charge

In a number of publications about biophysical experiments on the transfer of a charge to DNA, it is assumed that charge is transferred via a super-exchange mechanism at short distances of 2–3 nucleotide pairs, and in long fragments the charge forms a polaron that moves along the chain under the influence of temperature fluctuations. Using numerical simutation, we investigate the dynamics of a polaron of small radius in a homogeneous chain plaiced in constant electric field at a finite temperature. It is shown that there is no charge transfer by the polaron mechanism, i.e. there is no sequential movement of the polaron from site to site, in chains with parameter valuess corresponding to homogeneous adenine DNA fragments. The “polaron or delocalized state” check is based on the control of the average characteristics: the delocalization parameter, the position of the maximum probability, and the maximum modulus displacement. The dynamics of individual trajectories is also considered. Without electric field, there is a mode of switching between the states "stationary polaron – delocalized state", and a new polaron arises at a random site of the chain. In the chain placed in field with constant intensity, the averaged charge moves in the direction of the field, but the transfer occurs in a delocalized state.

Bound-to-delocalized-state transition in a strong nonresonance laser field

1998 ◽  
Author(s):  
Vladimir K. Mukhomorov
Keyword(s):  
Laser Field ◽  
State Transition ◽  
Delocalized State

scholarly journals Delocalized State and Superdiffusion of Hydrogen in Metals.

1985 ◽  
Vol 24 (5) ◽  
pp. 365-375 ◽  
Author(s):  
Taira Suzuki
Keyword(s):  
Delocalized State ◽  
Hydrogen In Metals

Ab Initio Molecular Dynamics Simulation of a Medium-Sized Water Cluster Anion: From an Interior to a Surface-Located Excess Electron via a Delocalized State

2008 ◽  
Vol 112 (27) ◽  
pp. 6125-6133 ◽  
Author(s):  
Tomaso Frigato ◽  
Joost VandeVondele ◽  
Burkhard Schmidt ◽  
Christof Schütte ◽  
Pavel Jungwirth
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Water Cluster ◽  
Cluster Anion ◽  
Excess Electron ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Delocalized State

Solvatochromism of Distyrylbenzene Pairs Bound Together by [2.2]Paracyclophane:  Evidence for a Polarizable “Through-Space” Delocalized State

2005 ◽  
Vol 127 (20) ◽  
pp. 7435-7443 ◽  
Author(s):  
Janice W. Hong ◽  
Han Young Woo ◽  
Bin Liu ◽  
Guillermo C. Bazan
Keyword(s):  
Delocalized State

Positronium in aSrF2single crystal: Temperature-induced transition from the localized to the delocalized state

2005 ◽  
Vol 71 (13) ◽  
Author(s):  
K. Inoue ◽  
N. Suzuki ◽  
T. Hyodo
Keyword(s):  
Crystal Temperature ◽  
Delocalized State

Ultrafast Excited State Relaxation Dynamics of Branched Donor-π-Acceptor Chromophore:  Evidence of a Charge-Delocalized State

2006 ◽  
Vol 110 (42) ◽  
pp. 20872-20878 ◽  
Author(s):  
Guda Ramakrishna ◽  
Ajit Bhaskar ◽  
Theodore Goodson
Keyword(s):  
Excited State ◽  
Relaxation Dynamics ◽  
Delocalized State ◽  
A Charge
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