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Quantum mechanics of particles constrained to spiral curves with application to polyene chains
Eduardo V S Anjos1, Antonio C Pavão1, Luiz C B da Silva2
1Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, 50740-540, Brazil.
Context:
Due to advances in synthesizing lower-dimensional materials, there is the challenge of finding the wave equation that effectively describes quantum particles moving on 1D and 2D domains. Jensen and Koppe and Da Costa independently introduced a confining potential formalism showing that the effective constrained dynamics is subjected to a scalar geometry-induced potential; for the confinement to a curve, the potential depends on the curve's curvature function.
Method:
To characterize the electrons in polyenes, we follow two approaches. First, we utilize a weakened Coulomb potential associated with a spiral curve. The solution to the Schrödinger equation with Dirichlet boundary conditions yields Bessel functions, and the spectrum is obtained analytically. We employ the particle-in-a-box model in the second approach, incorporating effective mass corrections. The - transitions of polyenes were calculated in good experimental agreement with both approaches, although with different wave functions.
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