Eugene P. Wigner

Bio: Eugene P. Wigner is an academic researcher from Princeton University. The author has contributed to research in topics: Civil defense & Lorentz group. The author has an hindex of 73, co-authored 306 publications receiving 57978 citations. Previous affiliations of Eugene P. Wigner include Institute for Advanced Study & Eötvös Loránd University.

On the Quantum Correction For Thermodynamic Equilibrium

Abstract: The probability of a configuration is given in classical theory by the Boltzmann formula $\mathrm{exp}[\ensuremath{-}\frac{V}{\mathrm{hT}}]$ where $V$ is the potential energy of this configuration. For high temperatures this of course also holds in quantum theory. For lower temperatures, however, a correction term has to be introduced, which can be developed into a power series of $h$. The formula is developed for this correction by means of a probability function and the result discussed.

On the quantum correction for thermodynamic equilibrium

Abstract: The probability of a configuration is given in classical theory by the Boltzmann formula exp [— V/hT] where V is the potential energy of this configuration. For high temperatures this of course also holds in quantum theory. For lower temperatures, however, a correction term has to be introduced, which can be developed into a power series of h. The formula is developed for this correction by means of a probability function and the result discussed.

On Unitary Representations of the Inhomogeneous Lorentz Group

Abstract: It is perhaps the most fundamental principle of Quantum Mechanics that the system of states forms a linear manifold,1 in which a unitary scalar product is defined.2 The states are generally represented by wave functions3 in such a way that φ and constant multiples of φ represent the same physical state. It is possible, therefore, to normalize the wave function, i.e., to multiply it by a constant factor such that its scalar product with itself becomes 1. Then, only a constant factor of modulus 1, the so-called phase, will be left undetermined in the wave function. The linear character of the wave function is called the superposition principle. The square of the modulus of the unitary scalar product (ψ,Φ) of two normalized wave functions ψ and Φ is called the transition probability from the state ψ into Φ, or conversely. This is supposed to give the probability that an experiment performed on a system in the state Φ, to see whether or not the state is ψ, gives the result that it is ψ. If there are two or more different experiments to decide this (e.g., essentially the same experiment, performed at different times) they are all supposed to give the same result, i.e., the transition probability has an invariant physical sense.

Über das Paulische Äquivalenzverbot

Abstract: Die Arbeit enthalt eine Fortsetzung der kurzlich von einem der Verfasser vorgelegten Note „Zur Quantenmechanik der Gasentartung“, deren Ergebnisse hier wesentlich erweitert werden. Es handelt sich darum, ein ideales oder nichtideales, dem Paulischen Aquivalenzverbot unterworfenes Gas zu beschreiben mit Begriffen, die keinen Bezug nehmen auf den abstrakten Koordinatenraum der Atomgesamtheit des Gases, sondern nur den gewohnlichen dreidimensionalen Raum benutzen. Das wird ermoglicht durch die Darstellung des Gases vermittelst eines gequantelten dreidimensionalen Wellenfeldes, wobei die besonderen nichtkommutativen Multiplikationseigenschaften der Wellenamplitude gleichzeitig fur die Existenz korpus-kularer Gasatome und fur die Gultigkeit des Paulischen Aquivalenzverbots verantwortlich sind. Die Einzelheiten der Theorie besitzen enge Analogien zu der entsprechenden Theorie fur Einsteinsche ideale oder nichtideale Gase, wie sie von Dirac, Klein und Jordan ausgefuhrt wurde.

Statistical mechanics of complex networks

Abstract: The emergence of order in natural systems is a constant source of inspiration for both physical and biological sciences. While the spatial order characterizing for example the crystals has been the basis of many advances in contemporary physics, most complex systems in nature do not offer such high degree of order. Many of these systems form complex networks whose nodes are the elements of the system and edges represent the interactions between them. Traditionally complex networks have been described by the random graph theory founded in 1959 by Paul Erdohs and Alfred Renyi. One of the defining features of random graphs is that they are statistically homogeneous, and their degree distribution (characterizing the spread in the number of edges starting from a node) is a Poisson distribution. In contrast, recent empirical studies, including the work of our group, indicate that the topology of real networks is much richer than that of random graphs. In particular, the degree distribution of real networks is a power-law, indicating a heterogeneous topology in which the majority of the nodes have a small degree, but there is a significant fraction of highly connected nodes that play an important role in the connectivity of the network. The scale-free topology of real networks has very important consequences on their functioning. For example, we have discovered that scale-free networks are extremely resilient to the random disruption of their nodes. On the other hand, the selective removal of the nodes with highest degree induces a rapid breakdown of the network to isolated subparts that cannot communicate with each other. The non-trivial scaling of the degree distribution of real networks is also an indication of their assembly and evolution. Indeed, our modeling studies have shown us that there are general principles governing the evolution of networks. Most networks start from a small seed and grow by the addition of new nodes which attach to the nodes already in the system. This process obeys preferential attachment: the new nodes are more likely to connect to nodes with already high degree. We have proposed a simple model based on these two principles wich was able to reproduce the power-law degree distribution of real networks. Perhaps even more importantly, this model paved the way to a new paradigm of network modeling, trying to capture the evolution of networks, not just their static topology.

Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium.

Abstract: We present ab initio quantum-mechanical molecular-dynamics simulations of the liquid-metal--amorphous-semiconductor transition in Ge. Our simulations are based on (a) finite-temperature density-functional theory of the one-electron states, (b) exact energy minimization and hence calculation of the exact Hellmann-Feynman forces after each molecular-dynamics step using preconditioned conjugate-gradient techniques, (c) accurate nonlocal pseudopotentials, and (d) Nos\'e dynamics for generating a canonical ensemble. This method gives perfect control of the adiabaticity of the electron-ion ensemble and allows us to perform simulations over more than 30 ps. The computer-generated ensemble describes the structural, dynamic, and electronic properties of liquid and amorphous Ge in very good agreement with experiment. The simulation allows us to study in detail the changes in the structure-property relationship through the metal-semiconductor transition. We report a detailed analysis of the local structural properties and their changes induced by an annealing process. The geometrical, bonding, and spectral properties of defects in the disordered tetrahedral network are investigated and compared with experiment.

Self-interaction correction to density-functional approximations for many-electron systems

Abstract: The exact density functional for the ground-state energy is strictly self-interaction-free (i.e., orbitals demonstrably do not self-interact), but many approximations to it, including the local-spin-density (LSD) approximation for exchange and correlation, are not. We present two related methods for the self-interaction correction (SIC) of any density functional for the energy; correction of the self-consistent one-electron potenial follows naturally from the variational principle. Both methods are sanctioned by the Hohenberg-Kohn theorem. Although the first method introduces an orbital-dependent single-particle potential, the second involves a local potential as in the Kohn-Sham scheme. We apply the first method to LSD and show that it properly conserves the number content of the exchange-correlation hole, while substantially improving the description of its shape. We apply this method to a number of physical problems, where the uncorrected LSD approach produces systematic errors. We find systematic improvements, qualitative as well as quantitative, from this simple correction. Benefits of SIC in atomic calculations include (i) improved values for the total energy and for the separate exchange and correlation pieces of it, (ii) accurate binding energies of negative ions, which are wrongly unstable in LSD, (iii) more accurate electron densities, (iv) orbital eigenvalues that closely approximate physical removal energies, including relaxation, and (v) correct longrange behavior of the potential and density. It appears that SIC can also remedy the LSD underestimate of the band gaps in insulators (as shown by numerical calculations for the rare-gas solids and CuCl), and the LSD overestimate of the cohesive energies of transition metals. The LSD spin splitting in atomic Ni and $s\ensuremath{-}d$ interconfigurational energies of transition elements are almost unchanged by SIC. We also discuss the admissibility of fractional occupation numbers, and present a parametrization of the electron-gas correlation energy at any density, based on the recent results of Ceperley and Alder.

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Abstract: A modification of the nudged elastic band method for finding minimum energy paths is presented. One of the images is made to climb up along the elastic band to converge rigorously on the highest saddle point. Also, variable spring constants are used to increase the density of images near the top of the energy barrier to get an improved estimate of the reaction coordinate near the saddle point. Applications to CH4 dissociative adsorption on Ir~111! and H2 on Si~100! using plane wave based density functional theory are presented. © 2000 American Institute of Physics. @S0021-9606~00!71246-3#