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Updated: Sep 16, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

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关于分子中原子的相对论定义,修改了狄拉克方程

Andy D Zapata-Escobar1, Alejandro F Maldonado1

  • 1Instituto de Modelado e Innovación Tecnológica, IMIT (CONICET-UNNE), Avda Libertad 5460, W3404AAS Corrientes, Argentina.

The Journal of chemical physics
|July 8, 2025
PubMed
概括

修改后的狄拉克哈密尔顿式使量子化学中的相对论盆地定义成为可能,克服了标准的狄拉克哈密尔顿式的局限性. 这种方法允许分子电子结构的物理上有意义的分区.

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Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
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