On the Quasi-Separability of Atoms and Molecules

IF 1.2 3区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY
Alejandro López-Castillo
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Abstract

Atoms and molecules are particular kinds of restricted n-body systems, which generally behave as quasi-separable, unlike other n-body systems, e.g., Newtonian ones. The Coulomb repulsion and the Pauli exclusion principle in atoms and molecules are responsible for that separability. Additionally, chemical bonds, especially covalent bonds, enhance the separability of molecules. Independent particle models do not describe atoms and molecules since first-order energy corrections are high. However, these corrections obtained by the first-order perturbation or mean-field strongly converge, implying a one-electron effective potential description. Consequently, stable states of atoms and molecules can be reasonably described by one-electron effective potentials, which strongly differ from other n-body problems. We discuss the peculiarities of the correlation motion of generic systems in the context of the four fundamental forces. In particular, we have shown that the two components (attraction and repulsion) of the electromagnetic force confer a relatively low correlation motion to atoms and molecules. We discuss the physical and chemical nature of atoms and molecules, comparing the degrees of separability between different systems. For example, the separability of Newtonian systems is generally possible in particular classes of restricted systems due to relative mass differences. However, for atoms and molecules, the separability is much broader.

Abstract Image

论原子和分子的准分离性
原子和分子是一种特殊的受限 n 体系统,与其他 n 体系统(如牛顿系统)不同,它们通常表现为准可分离性。原子和分子中的库仑斥力和保利排他原理是造成这种可分离性的原因。此外,化学键,尤其是共价键,也增强了分子的可分离性。独立粒子模型无法描述原子和分子,因为一阶能量修正很高。然而,通过一阶扰动或均值场获得的这些修正强烈收敛,意味着单电子有效势描述。因此,原子和分子的稳定态可以用单电子有效势来合理描述,这与其他 n 体问题有很大不同。我们以四种基本力为背景,讨论了一般系统相关运动的特殊性。特别是,我们证明了电磁力的两个分量(吸引力和排斥力)赋予原子和分子相对较低的相关运动。我们讨论了原子和分子的物理和化学性质,比较了不同系统之间的可分离性程度。例如,由于相对质量的差异,牛顿系统的可分离性在特定类别的受限系统中一般是可能的。然而,原子和分子的可分离性要广泛得多。
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来源期刊
Foundations of Physics
Foundations of Physics 物理-物理:综合
CiteScore
2.70
自引率
6.70%
发文量
104
审稿时长
6-12 weeks
期刊介绍: The conceptual foundations of physics have been under constant revision from the outset, and remain so today. Discussion of foundational issues has always been a major source of progress in science, on a par with empirical knowledge and mathematics. Examples include the debates on the nature of space and time involving Newton and later Einstein; on the nature of heat and of energy; on irreversibility and probability due to Boltzmann; on the nature of matter and observation measurement during the early days of quantum theory; on the meaning of renormalisation, and many others. Today, insightful reflection on the conceptual structure utilised in our efforts to understand the physical world is of particular value, given the serious unsolved problems that are likely to demand, once again, modifications of the grammar of our scientific description of the physical world. The quantum properties of gravity, the nature of measurement in quantum mechanics, the primary source of irreversibility, the role of information in physics – all these are examples of questions about which science is still confused and whose solution may well demand more than skilled mathematics and new experiments. Foundations of Physics is a privileged forum for discussing such foundational issues, open to physicists, cosmologists, philosophers and mathematicians. It is devoted to the conceptual bases of the fundamental theories of physics and cosmology, to their logical, methodological, and philosophical premises. The journal welcomes papers on issues such as the foundations of special and general relativity, quantum theory, classical and quantum field theory, quantum gravity, unified theories, thermodynamics, statistical mechanics, cosmology, and similar.
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