Journal ArticleDOI
Bipolaron formation and desorption following Auger decay in polyacetylene
TLDR
In this article, the Su-Schrieffer-Heeger model has been applied to a trans-polyacetylene chain with two holes at the top of the valence band.About:
This article is published in Solid State Communications.The article was published on 1987-01-01. It has received 22 citations till now. The article focuses on the topics: Bipolaron & Polaron.read more
Citations
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Journal ArticleDOI
Influence of heat bath and disorder in the sequence of amino acid masses on Davydov solitons
TL;DR: The theory of Davydov solitons for the energy transport in proteins is briefly summarised in this paper, using for the dynamics of the solITons the quantum equations of motion.
Journal ArticleDOI
Davydov soliton dynamics: two-quantum states and diagonal disorder
TL;DR: In this paper, the dynamics of two-quantum states within Davydov mod D2) dynamics were investigated and it was shown that the soliton formation and pinning starts from smaller values of the nonlinearity parameter X.
Journal ArticleDOI
Davydov soliton dynamics: initial state, boundary conditions, and numerical procedure
TL;DR: In this paper, the performance of a Runge-Kutta method of fourth order in dynamic simulations within Davydov's so-called |D2〉 state ansatz is studied by comparison with analytical solutions available for two special cases.
Journal ArticleDOI
Analytical energy gradients for dynamical simulations of trans polyacetylene chains within the Pariser-Parr-Pople Hamiltonian
TL;DR: In this paper, exact analytical energy gradients for the Pariser-Parr-Pople (PPP) Hamiltonian were derived and a comparison of computer times for dynamical simulations of trans-Polyacetylene (t-PA) using analytical and numerical gradients is given.
Journal ArticleDOI
Chain-end effects in Su-Schrieffer-Heeger-type models of alternating trans-polyacetylene
TL;DR: In this paper, the ansatz for the potential due to σ-electron is reformulated so that no additional linear terms to avoid chain shrinking are necessary, and the second-neighbour resonance integrals of a magnitude suggested by experimental findings are shown to have no influence on soliton dynamics.
References
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Journal ArticleDOI
Solitons in polyacetylene
TL;DR: In this paper, the authors present a theoretical study of soliton formation in long-chain polyenes, including the energy of formation, length, mass, and activation energy for motion.
Journal ArticleDOI
Ion desorption by core-hole Auger decay
M. L. Knotek,Peter J. Feibelman +1 more
TL;DR: In this article, the core-hole Auger decay mechanism for impact-induced desorption has been investigated and shown to correlate with the ionization potential of the highest-lying atomic core levels.
Journal ArticleDOI
Soliton dynamics in polyacetylene
Wu-Pei Su,J. R. Schrieffer +1 more
TL;DR: The equations of motion of the coupled electron-phonon system are integrated in real time for the model of polyacetylene recently proposed and show that the system relaxes within a time of order 10(-13) sec, converting excited electron-hole pairs into soliton-antisoliton pairs.
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Reinterpretation of electron-stimulated desorption data from chemisorption systems
Peter J. Feibelman,M. L. Knotek +1 more
TL;DR: A review of the electron-stimulated-desorption literature shows that many of the features of ESD that are difficult to rationalize within the model of Menzel, Gomer, and Redhead can easily be interpreted using the Auger decay model, which has recently been developed to explain ESD from transition-metal oxide surfaces as mentioned in this paper.
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Hubbard versus Peierls and the Su-Schrieffer-Heeger model of polyacetylene
Steven A. Kivelson,D. E. Heim +1 more
TL;DR: In this paper, the authors considered the competing effects of the electron-electron repulsion and the electronphonon interaction on the properties of a one-dimensional electron gas both within perturbation theory and by exact numerical solution of finite-length rings.