The present work illustrates a predictive method, based on graph theory, for different types of energy of subatomic particles, atoms and molecules, to be specific, the mass defect of the first thirteen elements of the...The present work illustrates a predictive method, based on graph theory, for different types of energy of subatomic particles, atoms and molecules, to be specific, the mass defect of the first thirteen elements of the periodic table, the rotational and vibrational energies of simple molecules (such as , H2, FH and CO) as well as the electronic energy of both atoms and molecules (conjugated alkenes). It is shown that such a diverse group of energies can be expressed as a function of few simple graph-theoretical descriptors, resulting from assigning graphs to every wave function. Since these descriptors are closely related to the topology of the graph, it makes sense to wonder about the meaning of such relation between energy and topology and suggests points of view helping to formulate novel hypotheses about this relation.展开更多
One of the challenges still pending in string theory and other particle physics related fields is the accurate prediction of the masses of the elementary particles defined in the standard model. In this paper an origi...One of the challenges still pending in string theory and other particle physics related fields is the accurate prediction of the masses of the elementary particles defined in the standard model. In this paper an original algorithm to assign graphs to each of these particles is proposed. Based on this mapping, we demonstrate that certain indices associated with the topology of the graph (graph theoretical indices) are very effective in predicting the masses of the particles. Specifically, the spectral moments of the graph adjacency matrix weighted by edge degrees play a key role in the excellent correlations found. Moreover, the same topological pattern is found in other well known quantum systems such as the particle in a box and the vibrational frequencies of diatomic molecules, such as hydrogen. The results shown here open a suggestive pathway for the use of graph-theoretical approaches in predicting properties of elementary particles and other physical systems, which seem to match similar topological patterns.展开更多
文摘The present work illustrates a predictive method, based on graph theory, for different types of energy of subatomic particles, atoms and molecules, to be specific, the mass defect of the first thirteen elements of the periodic table, the rotational and vibrational energies of simple molecules (such as , H2, FH and CO) as well as the electronic energy of both atoms and molecules (conjugated alkenes). It is shown that such a diverse group of energies can be expressed as a function of few simple graph-theoretical descriptors, resulting from assigning graphs to every wave function. Since these descriptors are closely related to the topology of the graph, it makes sense to wonder about the meaning of such relation between energy and topology and suggests points of view helping to formulate novel hypotheses about this relation.
文摘One of the challenges still pending in string theory and other particle physics related fields is the accurate prediction of the masses of the elementary particles defined in the standard model. In this paper an original algorithm to assign graphs to each of these particles is proposed. Based on this mapping, we demonstrate that certain indices associated with the topology of the graph (graph theoretical indices) are very effective in predicting the masses of the particles. Specifically, the spectral moments of the graph adjacency matrix weighted by edge degrees play a key role in the excellent correlations found. Moreover, the same topological pattern is found in other well known quantum systems such as the particle in a box and the vibrational frequencies of diatomic molecules, such as hydrogen. The results shown here open a suggestive pathway for the use of graph-theoretical approaches in predicting properties of elementary particles and other physical systems, which seem to match similar topological patterns.
