相关论文: Quaternions in molecular modeling

A systematic theory is introduced for calculating the derivatives of quaternion matrix function with respect to quaternion matrix variables. The proposed methodology is equipped with the matrix product rule and chain rule and it is able to…

Many phenomena are described by bivariate signals or bidimensional vectors in applications ranging from radar to EEG, optics and oceanography. The time-frequency analysis of bivariate signals is usually carried out by analyzing two separate…

In this study, we introduce the concept of commutative quaternions and commutative quaternion matrices. Firstly, we give some properties of commutative quaternions and their Hamilton matrices. After that we investigate commutative…

Computational study of molecules and materials from first principles is a cornerstone of physics, chemistry, and materials science, but limited by the cost of accurate and precise simulations. In settings involving many simulations, machine…

The octonions are one of the four normed division algebras, together with the real, complex and quaternion number systems. The latter three hold a primary place in random matrix theory, where in applications to quantum physics they are…

We review the general problem of finding a global rotation that transforms a given set of points and/or coordinate frames (the "test" data) into the best possible alignment with a corresponding set (the "reference" data). For 3D point data,…

This note deals with two topics of linear algebra. We give a simple and short proof of the multiplicative property of the determinant and provide a constructive formula for rotations. The derivation of the rotation matrix relies on simple…

The paper aims to adopt the complex quaternion and octonion to formulate the field equations for electromagnetic and gravitational fields. Applying the octonionic representation enables one single definition to combine some physics contents…

The angular momentum of molecules, or, equivalently, their rotation in three-dimensional space, is ideally suited for quantum control. Molecular angular momentum is naturally quantized, time evolution is governed by a well-known Hamiltonian…

The use of complexified quaternions and $i$-complex geometry in formulating the Dirac equation allows us to give interesting geometric interpretations hidden in the conventional matrix-based approach.

The satisfactory development of Quaternionic Analysis has indicated new solutions for physical and mathematical problems. It is worth mentioning the fact that quaternions possess four dimensions, and in this way they may be considered as…

Quaternions were appeared through Lagrangian formulation of mechanics in Symplectic vector space. Its general form was obtained from the Clifford algebra, and Frobenius' theorem, which says that "the only finite-dimensional real division…

Nuclear reactors are one of the most intense, pure, controllable, cost-effective, and well-understood sources of neutrinos. Reactors have played a major role in the study of neutrino oscillations, a phenomenon that indicates that neutrinos…

Introduction: molecular geometry, the three-dimensional arrangement of atoms within a molecule, is fundamental to understanding chemical reactivity, physical properties, and biological activity. The prevailing models used to describe…

Novel types of convolution operators for quaternion linear canonical transform (QLCT) are proposed. Type one and two are defined in the spatial and QLCT spectral domains, respectively. They are distinct in the quaternion space and are…

Quaternions provide a unified algebraic and geometric framework for representing three-dimensional rotations without the singularities that afflict Euler-angle parametrisations. This article develops a pedagogical and conceptual analysis of…

M\"obius transformations of the extended complex plane are at the crossroads of many interesting topics, e.g., they form a group under composition, are the simplest form of rational function, and are a path to Lie theory. Quaternionic…

Linear algebra is usually defined over a field such as the reals or complex numbers. It is possible to extend this to skew fields such as the quaternions. However, to the authors' knowledge there is no commonly accepted notation of linear…

The algebra of fourvectors is described. The fourvectors are more appropriate than the Hamilton quaternions for its use in Physics and the sciences in general. The fourvectors embrace the 3D vectors in a natural form. It is shown the…

RNAs play crucial and versatile roles in biological processes. Computational prediction approaches can help to understand RNA structures and their stabilizing factors, thus providing information on their functions, and facilitating the…