Symmetry transformation of crystal wave functions

1977 ◽  
Vol 25 (3) ◽  
pp. 314-318 ◽  
Author(s):  
Stig Flodmark
2001 ◽  
Vol 171 (12) ◽  
pp. 1365
Author(s):  
E.E. Vdovin ◽  
Yu.N. Khanin ◽  
Yu.V. Dubrovskii ◽  
A. Veretennikov ◽  
A. Levin ◽  
...  

2019 ◽  
Author(s):  
Vitaly Kuyukov

Modern general theory of relativity considers gravity as the curvature of space-time. The theory is based on the principle of equivalence. All bodies fall with the same acceleration in the gravitational field, which is equivalent to locally accelerated reference systems. In this article, we will affirm the concept of gravity as the curvature of the relative wave function of the Universe. That is, a change in the phase of the universal wave function of the Universe near a massive body leads to a change in all other wave functions of bodies. The main task is to find the form of the relative wave function of the Universe, as well as a new equation of gravity for connecting the curvature of the wave function and the density of matter.


1979 ◽  
Vol 44 (9) ◽  
pp. 2633-2638 ◽  
Author(s):  
Hans-Jörg Hofmann ◽  
Josef Kuthan

The conformation of nicotinamide (I) and 1-methyl-1,4-dihydronicotinamide (II) was examined using the NDDO method. The influence of solvent on the molecular structure of the title compounds was estimated by means of a continuum model. Analysis of the NDDO wave functions contributes to the knowledge about the mechanism of the NADH reduction.


1983 ◽  
Vol 48 (7) ◽  
pp. 1842-1853 ◽  
Author(s):  
Stanislav Böhm ◽  
Josef Kuthan

Conformation of nicotinamide (I), 3-carbamoylpyridinium (IIa), 1-methyl-3-carbamoylpyridinium (IIb), and 1-methyl-1,4-dihydronicotinamide (IIIa) has been studied in the rigid rotor approximation on the basis of non-empirical STO-3G wave functions. The rotation barriers decrease in the order: IIIa > I ~ IIb > IIa. When confronted with semiempirical calculations, the conformation curves of molecular energy show a better qualitative similarity to the EHT than to NDDO and particularly to CNDO/2 curves. Relation of the calculated characteristics to experimental findings is discussed.


Author(s):  
Michael Kachelriess

Noethers theorem shows that continuous global symmetries lead classically to conservation laws. Such symmetries can be divided into spacetime and internal symmetries. The invariance of Minkowski space-time under global Poincaré transformations leads to the conservation of the four-momentum and the total angular momentum. Examples for conserved charges due to internal symmetries are electric and colour charge. The vacuum expectation value of a Noether current is shown to beconserved in a quantum field theory if the symmetry transformation keeps the path-integral measure invariant.


Author(s):  
Frank S. Levin

The subject of Chapter 8 is the fundamental principles of quantum theory, the abstract extension of quantum mechanics. Two of the entities explored are kets and operators, with kets being representations of quantum states as well as a source of wave functions. The quantum box and quantum spin kets are specified, as are the quantum numbers that identify them. Operators are introduced and defined in part as the symbolic representations of observable quantities such as position, momentum and quantum spin. Eigenvalues and eigenkets are defined and discussed, with the former identified as the possible outcomes of a measurement. Bras, the counterpart to kets, are introduced as the means of forming probability amplitudes from kets. Products of operators are examined, as is their role underpinning Heisenberg’s Uncertainty Principle. A variety of symbol manipulations are presented. How measurements are believed to collapse linear superpositions to one term of the sum is explored.


Author(s):  
Frank S. Levin

Chapter 7 illustrates the results obtained by applying the Schrödinger equation to a simple pedagogical quantum system, the particle in a one-dimensional box. The wave functions are seen to be sine waves; their wavelengths are evaluated and used to calculate the quantized energies via the de Broglie relation. An energy-level diagram of some of the energies is constructed; on it are illustrations of the corresponding wave functions and probability distributions. The wave functions are seen to be either symmetric or antisymmetric about the midpoint of the line representing the box, thereby providing a lead-in to the later exploration of certain symmetry properties of multi-electron atoms. It is next pointed out that the Schrödinger equation for this system is identical to Newton’s equation describing the vibrations of a stretched musical string. The different meaning of the two solutions is discussed, as is the concept and structure of linear superpositions of them.


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