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The symmetries of a physical system manifest themselves through its conservation laws; they are encoded in the Hamiltonian, the generator of time translations. In Quantum Mechanics, the hermitian operators which commute with the Hamiltonian generate the symmetries of the system.
Similar considerations apply to local Quantum Field Theory. There, the main ingredient is the Dirac-Feynman path integral taken over the exponential of the action functional. In local relativistic field theory, the action is the space-time integral of the Lagrange density, itself a function of fields, local in space-time, which represent the basic excitations of the system. In theories of fundamental interactions, they correspond to the elementary particles. Through E. Noether's theorem, the conservation laws are encoded in the symmetries of the action (or Lagrangian, assuming proper boundary conditions at infinity).
Physicists have identified four different forces in Nature. The force of gravity, the electromagnetic, weak, and strong forces. All four are described by actions which display stunningly similar mathematical structures, so much so that the weak and electromagnetic forces have been experimentally shown to stem from the same theory. Speculations of further syntheses abound, unifying all three forces except gravity into a Grand Unified Theory, or even including gravity in Superstring or M Theories!
In his remarkable 1939 James Scott lecture, Dirac speaks of the mathematical quality of Nature and even advocates a principle of mathematical beauty in seeking physical theories!
Earlier, we saw that finite groups can be taken apart through the composition series, in terms of simple finite groups, that is groups without normal subgroups. Remarkably the infinitude of simple groups is amenable to a complete classification. Indeed, most simple groups can be understood as finite elements of Lie groups, with parameters belonging to finite Galois fields. Their construction relies on the Chevalley basis of the Lie algebra, as well as on the topology of its Dynkin diagram. The remaining simple groups do not follow this pattern; they are the magnificent 26 sporadic groups. A singular achievement of modern mathematics was to show this classification to be complete.
So far, this beautiful subject has found but a few applications in physics. We feel nevertheless that physicists should acquaint themselves with its beauty. In this mostly descriptive chapter we introduce the necessary notions from number theory, and outline the construction of the Chevalley groups as well as that of some sporadic groups. We begin by presenting the two smallest non-Abelian simple finite groups.
A5 is simple
The 60 even permutations of the alternating group A5 are 3-ply or triply transitive. We can use this fact to prove something startling about alternating groups.
By definition, all even permutations are generated by the product of two transpositions, which can be reduced to three-cycles or the product of three-cycles.
Symmetric objects are so singular in the natural world that our ancestors must have noticed them very early. Indeed, symmetrical structures were given special magical status. The Greeks' obsession with geometrical shapes led them to the enumeration of platonic solids, and to adorn their edifices with various symmetrical patterns. In the ancient world, symmetry was synonymous with perfection. What could be better than a circle or a sphere? The Sun and the planets were supposed to circle the Earth. It took a long time to get to the apparently less than perfect ellipses!
Of course most shapes in the natural world display little or no symmetry, but many are almost symmetric. An orange is close to a perfect sphere; humans are almost symmetric about their vertical axis, but not quite, and ancient man must have been aware of this. Could this lack of exact symmetry have been viewed as a sign of imperfection, imperfection that humans need to atone for?
It must have been clear that highly symmetric objects were special, but it is a curious fact that the mathematical structures which generate symmetrical patterns were not systematically studied until the nineteenth century. That is not to say that symmetry patterns were unknown or neglected, witness the Moors in Spain who displayed the seventeen different ways to tile a plane on the walls of their palaces!
Évariste Galois in his study of the roots of polynomials of degree larger than four, equated the problem to that of a set of substitutions which form that mathematical structure we call a group. In physics, the study of crystals elicited wonderfully regular patterns which were described in terms of their symmetries. In the twentieth century, with the advent of Quantum Mechanics, symmetries have assumed a central role in the study of Nature.
This collection of papers by leading researchers in their respective fields contains contributions showing the use of the maximum entropy method in many of the fields in which it finds application. In the physical, mathematical and biological sciences it is often necessary to make inferences based on insufficient data. The problem of choosing one among the many possible conclusions or models which are compatible with the data may be resolved in a variety of ways. A particularly appealing method is to choose the solution which maximizes entropy in the sense that the conclusion or model honours the observed data but implies no further assumptions not warranted by the data. The maximum entropy principle has been growing in importance and acceptance in many fields, perhaps most notably statistical physics, astronomy, geophysics, signal processing, image analysis and physical chemistry. The papers included in this volume touch on most of the current areas of research activity and application, and will be of interest to research workers in all fields in which the maximum entropy method may be applied.
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.