How Strong is the Electron Correlation in Conjugated Polymers

1993 ◽  
Vol 328 ◽  
Author(s):  
C. Q. Wu
Keyword(s):  
Conjugated Polymers ◽  
Nearest Neighbor ◽  
Correlation Energy ◽  
Effective Interaction ◽  
Physical Processes ◽  
Neighbor Interaction ◽  
Effective Interactions ◽  
Long Range Interactions ◽  
Polarization Cloud ◽  
Theoretical Results

ABSTRACTCorrelation effects on the band gap are studied to get the strength of electron interactions in conjugated polymers. In the presence of an additional electron or hole, the correlation induces a polarization cloud around the additional particle, which forms a polaron. For the excitation energy of a polaron, there is a competition between a loss of correlation energy in the ground state and a gain of polarization energy due to the scattering through the additional particle. The calculation has been done both for the Hubbard Model and long-range interactions. For polyacetylene, we obtain the on-site repulsion U = 4.4 eV and the nearest-neighbor interaction V = 0.8 eV. The polarization effect of Σ electrons and theoretical results on the effective interaction are discussed. The strength of effective interactions should depends on physical processes.

Interionic Pair Potential, hard sphere diameter and entropy of mixing of NaCd compound forming binary molten alloys under the framework of Pseudopotential theory

2014 ◽  
Vol 10 (6) ◽  
pp. 2843-2852
Author(s):  
Sujeet Kumar Chatterjee ◽  
Lokesh Chandra Prasad ◽  
Ajaya Bhattarai
Keyword(s):  
Nearest Neighbor ◽  
Effective Interaction ◽  
Pair Potential ◽  
Sphere Diameter ◽  
Compound Formation ◽  
Pseudopotential Theory ◽  
Energy Of Mixing ◽  
Asymmetric Behaviour ◽  
Statistical Mechanical ◽  
Free Energy Of Mixing

The observed asymmetric behaviour of mixing of  NaCd liquid alloys around equiatomic composition with smaller negative values for free energy of mixing at compound forming concentration, i.e. GMXS = -4.9KJ at Ccd =0.66 has  aroused our interest to undertake a theoretical investigation of this system.A simple statistical mechanical theory based on compound formation model has been used to investigate the energetics of formation of intermetallic compound Cd2Na in the melt through the study of entropy of mixing.Besides, the interionic interactions between component atoms Na and Cd of the alloys have been understood through the study of interionic pair potential фij(r), calculated from pseudopotential theory in the light of CF model.Our study of фij(r) suggest that the effective interaction between Na-Na atoms decreases on alloying with Cd atom, being minimum for compound forming alloy( Cd 0.66 Na 0.34 ).The nearest neighbor distance between Na-Na atoms does not alter on alloying. Like wise Na-Na,  effective interaction between  Cd-Cd atom decreases from pure state to NaCd alloys, being smaller at compound forming  concentration Cd 0.66 Na 0.34.The computed values of SM from pseudopotential theory are positive at all concentrations, but the agreement between theory and experimental is not satisfactory. This might be happening due to parameterisation of σ3 and Ψcompound.

scholarly journals Two-loop superstring five-point amplitudes. Part II. Low energy expansion and S-duality

2021 ◽  
Vol 2021 (2) ◽  
Author(s):  
Eric D’Hoker ◽  
Carlos R. Mafra ◽  
Boris Pioline ◽  
Oliver Schlotterer
Keyword(s):  
Moduli Space ◽  
Effective Interaction ◽  
Type Ii ◽  
Leading Order ◽  
Effective Interactions ◽  
Heterotic String Theory ◽  
Genus Two ◽  
Genus One ◽  
Graph Function ◽  
Point Amplitude

Abstract In an earlier paper, we constructed the genus-two amplitudes for five external massless states in Type II and Heterotic string theory, and showed that the α′ expansion of the Type II amplitude reproduces the corresponding supergravity amplitude to leading order. In this paper, we analyze the effective interactions induced by Type IIB superstrings beyond supergravity, both for U(1)R-preserving amplitudes such as for five gravitons, and for U(1)R-violating amplitudes such as for one dilaton and four gravitons. At each order in α′, the coefficients of the effective interactions are given by integrals over moduli space of genus-two modular graph functions, generalizing those already encountered for four external massless states. To leading and sub-leading orders, the coefficients of the effective interactions D2ℛ5 and D4ℛ5 are found to match those of D4ℛ4 and D6ℛ4, respectively, as required by non-linear supersymmetry. To the next order, a D6ℛ5 effective interaction arises, which is independent of the supersymmetric completion of D8ℛ4, and already arose at genus one. A novel identity on genus-two modular graph functions, which we prove, ensures that up to order D6ℛ5, the five-point amplitudes require only a single new modular graph function in addition to those needed for the four-point amplitude. We check that the supergravity limit of U(1)R-violating amplitudes is free of UV divergences to this order, consistently with the known structure of divergences in Type IIB supergravity. Our results give strong consistency tests on the full five-point amplitude, and pave the way for understanding S-duality beyond the BPS-protected sector.

scholarly journals Modeling the dynamical sinking of biogenic particles in oceanic flow

2017 ◽  
Vol 24 (2) ◽  
pp. 293-305 ◽  
Author(s):  
Pedro Monroy ◽  
Emilio Hernández-García ◽  
Vincent Rossi ◽  
Cristóbal López
Keyword(s):  
Three Dimensional ◽  
Finite Size ◽  
Equation Of Motion ◽  
Particle Dynamics ◽  
Particle Sizes ◽  
Small Particles ◽  
Physical Processes ◽  
Mesoscale Simulation ◽  
Sinking Particles ◽  
Theoretical Results

Abstract. We study the problem of sinking particles in a realistic oceanic flow, with major energetic structures in the mesoscale, focussing on the range of particle sizes and densities appropriate for marine biogenic particles. Our aim is to evaluate the relevance of theoretical results of finite size particle dynamics in their applications in the oceanographic context. By using a simplified equation of motion of small particles in a mesoscale simulation of the oceanic velocity field, we estimate the influence of physical processes such as the Coriolis force and the inertia of the particles, and we conclude that they represent negligible corrections to the most important terms, which are passive motion with the velocity of the flow, and a constant added vertical velocity due to gravity. Even if within this approximation three-dimensional clustering of particles can not occur, two-dimensional cuts or projections of the evolving three-dimensional density can display inhomogeneities similar to the ones observed in sinking ocean particles.

STUDY OF THERMODYNAMIC PROPERTIES OF ZINC-BLENDE-TYPE SEMICONDUCTORS: TEMPERATURE AND PRESSURE DEPENDENCES

2011 ◽  
Vol 25 (12n13) ◽  
pp. 1041-1051 ◽  
Author(s):  
HO KHAC HIEU ◽  
VU VAN HUNG
Keyword(s):  
Nearest Neighbor ◽  
Thermodynamic Quantities ◽  
Atomic Displacements ◽  
Zinc Blende ◽  
The Mean ◽  
Temperature And Pressure ◽  
Analytical Expressions ◽  
Theoretical Results ◽  
Nearest Neighbor Distances ◽  
Statistical Moment Method

Using the statistical moment method (SMM), the temperature and pressure dependences of thermodynamic quantities of zinc-blende-type semiconductors have been investigated. The analytical expressions of the nearest-neighbor distances, the change of volumes and the mean-square atomic displacements (MSDs) have been derived. Numerical calculations have been performed for a series of zinc-blende-type semiconductors: GaAs , GaP , GaSb , InAs , InP and InSb . The agreement between our calculations and both earlier other theoretical results and experimental data is a support for our new theory in investigating the temperature and pressure dependences of thermodynamic quantities of semiconductors.

Integrable Multi-impurity Open XXZ Chain with Next-Nearest-Neighbor Interaction

1999 ◽  
Vol 16 (6) ◽  
pp. 434-436
Author(s):  
Yun-zhong Lai ◽  
Ai-zhen Zhang ◽  
Zhan-ning Hu ◽  
Jiu-qing Liang ◽  
Fu-ke Pu (Pu Fu-cho)
Keyword(s):  
Nearest Neighbor ◽  
Neighbor Interaction ◽  
Xxz Chain

Total Energy Differences Between Silicon Carbide Polytypes and their Implications for Crystal Growth

1997 ◽  
Vol 492 ◽  
Author(s):  
Sukit Llmpijumnong ◽  
Walter R. L. Lambrecht
Keyword(s):  
Silicon Carbide ◽  
Crystal Growth ◽  
Epitaxial Growth ◽  
Size Effects ◽  
Nearest Neighbor ◽  
Orbital Method ◽  
Full Potential ◽  
Neighbor Interaction ◽  
Island Size ◽  
Annni Model

ABSTRACTThe energy differences between various SiC polytypes are calculated using the full-potential linear muffin-tin orbital method and analyzed in terms of the anisotropie next nearest neighbor interaction (ANNNI) model. The fact that J1 + 2J2 < 0 with J1 > 0 implies that twin boundaries in otherwise cubic material are favorable unless twins occur as nearest neighbor layers. Contrary to some other recent calculations we find J1 > |J2|. We discuss the consequences of this for stabilization of cubic SiC in epitaxial growth, including considerations of the island size effects.

scholarly journals FORMAL RELATION AMONG VARIOUS HERMITIAN AND NON-HERMITIAN EFFECTIVE INTERACTIONS

2005 ◽  
Vol 14 (01) ◽  
pp. 21-28 ◽  
Author(s):  
RYOJI OKAMOTO ◽  
SHINICHIRO FUJII ◽  
KENJI SUZUKI
Keyword(s):  
Effective Interaction ◽  
Model Space ◽  
General Definition ◽  
Effective Interactions ◽  
Formal Relation ◽  
Definition Of ◽  
Effective Hamiltonians

A general definition of the model-space effective interaction is given. The energy-independent effective Hamiltonians derived in a time-independent way are classified systematically.

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