期刊
JOURNAL OF CHEMICAL PHYSICS
卷 130, 期 13, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3090482
关键词
electric moments; electronic density of states; molecular moments; organic compounds
资金
- Fundacao Araucaria
- CAPES
We have considered two models for a system of disordered organic molecules: one based on a regular lattice with Gaussian site displacements and another based on a hard sphere distribution. The site energies were given by a charge-induced dipole interaction (the polarization energy). We obtained the density of states of both models and observed that it changes from a Gaussian to the density of states of a uniform site distribution, whose form was obtained analytically, depending on the degree of disorder in one model or the packing fraction in the other model. The site energy distribution is short-ranged correlated in both models since nearby molecules polarize basically the same disordered environment.
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