About: Elementary charge is a research topic. Over the lifetime, 1071 publications have been published within this topic receiving 32930 citations. The topic is also known as: elementary positive charge & e.
TL;DR: In this article, the authors present a method which allows a very refined treatment of solute's charge tails in the outer space; some numerical results of solutes in water will be shown and discussed.
Abstract: In continuum solvation models the definition of a cavity that embeds the solute molecule leads to problems related to the portion of solute’s electronic charge lying outside its boundaries (charge tails). The correction strategies developed so far can be shown to work insufficiently, since they only correct the global charge defect, but lead to considerable local errors. The present paper will be focused on the theoretical and technical aspects of this problem, and it will present in detail a new method which allows a very refined treatment of solute’s charge tails in the outer space; some numerical results of solutes in water will be shown and discussed. As further analyses, the introduction of Pauli repulsion term will be considered, and the implications all these effects have on molecular properties, such as (hyper)polarizabilities, numerically evaluated. The new approach has been implemented within the framework of the polarizable continuum model (PCM).
TL;DR: In this paper, the authors derived the sign of the Laplacian of the charge density ρ to the relative magnitudes of the local contributions of the potential and kinetic energy densities to their virial theorem averages.
Abstract: The theory of molecular structure determined by the gradient vector field of the charge density ρ identifies the set of atomic interactions present in a molecule. The interactions so defined are characterized in terms of the properties of the Laplacian of the charge density ∇2ρ(r). A scalar field is concentrated in those regions of space where its Laplacian is negative and depleted in those where it is positive. An expression derived from the quantum mechanical stress tensor relates the sign of the Laplacian of ρ to the relative magnitudes of the local contributions of the potential and kinetic energy densities to their virial theorem averages. By obtaining a map of those regions where ∇2ρ(r) 0. The mechanics are characterized by the relatively large value of the kinetic energy, particularly the component parallel to the interaction line. In the closed‐shell interactions, the regions of dominant potential energy contributions are separately localized within the boundaries of each of the interacting atoms or molecules. In the shared interactions, a region of low potential energy is contiguous over the basins of both of the interacting atoms. The problem of further classifying a given interaction as belonging to a bound or unbound state of a system is also considered, first from the electrostatic point of view wherein the regions of charge concentration as determined by the Laplacian of ρ are related to the forces acting on the nuclei. This is followed by and linked to a discussion of the energetics of interactions in terms of the regions of dominant potential and kinetic energy contributions to the virial as again determined by the Laplacian of ρ. The properties of the Laplacian of the electronic charge thus yield a unified view of atomic interactions, one which incorporates the understandings afforded by both the Hellmann–Feynman and virial theorems.
TL;DR: The observation of the fractional quantum Hall effect in ultraclean, suspended graphene is reported and it is shown that at low carrier density graphene becomes an insulator with a magnetic-field-tunable energy gap.
Abstract: The fractional quantum Hall effect is a quintessential manifestation of the collective behaviour associated with strongly interacting charge carriers confined to two dimensions and subject to a strong magnetic field. It is predicted that the charge carriers present in graphene — an atomic layer of carbon that can be seen as the 'perfect' two-dimensional system — are subject to strong interactions. Nevertheless, the phenomenon had eluded experimental observation until now: in this issue two groups report fractional quantum Hall effect in suspended sheets of graphene, probed in a two-terminal measurement setup. The researchers also observe a magnetic-field-induced insulating state at low carrier density, which competes with the quantum Hall effect and limits its observation to the highest-quality samples only. These results pave the way for the study of the rich collective behaviour of Dirac fermions in graphene. The fractional quantum Hall effect (FQHE) is the quintessential collective quantum behaviour of charge carriers confined to two dimensions but it has not yet been observed in graphene, a material distinguished by the charge carriers' two-dimensional and relativistic character. Here, and in an accompanying paper, the FQHE is observed in graphene through the use of devices containing suspended graphene sheets; the results of these two papers open a door to the further elucidation of the complex physical properties of graphene. When electrons are confined in two dimensions and subject to strong magnetic fields, the Coulomb interactions between them can become very strong, leading to the formation of correlated states of matter, such as the fractional quantum Hall liquid1,2. In this strong quantum regime, electrons and magnetic flux quanta bind to form complex composite quasiparticles with fractional electronic charge; these are manifest in transport measurements of the Hall conductivity as rational fractions of the elementary conductance quantum. The experimental discovery of an anomalous integer quantum Hall effect in graphene has enabled the study of a correlated two-dimensional electronic system, in which the interacting electrons behave like massless chiral fermions3,4. However, owing to the prevailing disorder, graphene has so far exhibited only weak signatures of correlated electron phenomena5,6, despite intense experimental and theoretical efforts7,8,9,10,11,12,13,14. Here we report the observation of the fractional quantum Hall effect in ultraclean, suspended graphene. In addition, we show that at low carrier density graphene becomes an insulator with a magnetic-field-tunable energy gap. These newly discovered quantum states offer the opportunity to study correlated Dirac fermions in graphene in the presence of large magnetic fields.
TL;DR: In this paper, it was shown that current in a two-dimensional electron gas in the FQH regime is carried by fractional charges (e/3 in the present case) in agreement with Laughlin's prediction.
Abstract: Since Millikan's famous oil-drop experiments1, it has been well known that electrical charge is quantized in units of the charge of an electron, e. For this reason, the theoretical prediction2,3 by Laughlin of the existence of fractionally charged ‘quasiparticles’—proposed as an explanation for the fractional quantum Hall (FQH) effect—is very counterintuitive. The FQH effect is a phenomenon observed in the conduction properties of a two-dimensional electron gas subjected to a strong perpendicular magnetic field. This effect results from the strong interaction between electrons, brought about by the magnetic field, giving rise to the aforementioned fractionally charged quasiparticles which carry the current. Here we report the direct observation of these counterintuitive entities by using measurements of quantum shot noise. Quantum shot noise results from the discreteness of the current-carrying charges and so is proportional to both the charge of the quasiparticles and the average current. Our measurements of quantum shot noise show unambiguously that current in a two-dimensional electron gas in the FQH regime is carried by fractional charges—e/3 in the present case—in agreement with Laughlin's prediction.
TL;DR: A recent approximate self-consistent molecular orbital theory (complete neglect of differential overlap or CNDO) is used to calculate charge distributions and electronic dipole moments of a series of simple organic molecules, suggesting that charge alternation may be an intrinsic property of all induction and mesomeric electronic displacements.
Abstract: A recent approximate self-consistent molecular orbital theory (complete neglect of differential overlap or CNDO) is used to calculate charge distributions and electronic dipole moments of a series of simple organic molecules. The nuclear coordinates are chosen to correspond to a standard geometrical model. The calculated dipole moments are in reasonable agreement with experimental values in most cases and reproduce many of the observed trends. The associated charge distributions of dipolar molecules show widespread alternation of polarity in both saturated and unsaturated systems. These results suggest that charge alternation may be an intrinsic property of all inductive and mesomeric electronic displacements. ne of the long-term aims of quantum chemistry 0 is to provide a critical quantitative background for simple theories of electron distribution in large molecules. Most theoretical discussions of the role of electronic structure in organic chemistry are at present based either on qualitative arguments (such as the study of resonance structures) with no clear foundation in quantum mechanics, or on postulated relationships between charge distribution and various physical and chemical properties (reactivities, acidities, nmr chemical shifts, etc.), few of which can be subjected to direct test. If quantum mechanical calculations are to lead to independent methods of studying such phenomena, they ought to satisfy the following general conditions. (1) The methods must be simple enough to permit application to moderately large molecules without excessive computational effort. Quite accurate wave functions now exist for many diatomic and small polyatomic molecules, but it is unlikely that comparable functions will be readily available in the near future for the molecules of everyday interest to the organic chemist. To be accessible, a quantum mechanical theory has to be approximate. (2) Even though approximations have to be introduced, these should not be so severe that they eliminate any of the primary physical forces determining structure. For example, the relative stabilities of electrons in different energy levels, the directional character of the bonding capacity of atomic orbitals, and the electrostatic repulsion between electrons are all gross features with major chemical consequences and they should all be retained in a realistic treatment. (3) In order to be useful as an independent study, the approximate wave functions should be formulated in an unbiased manner, so that no preconceived ideas derived from conventional qualitative discussions are built in implicitly. For example, a critical theoretical study of the localization of a two-electron bond orbital ought to be based on a quantum mechanical theory which makes no reference to electron-pair bonds in its basis. Molecular orbital theories satisfy this type of condition insofar as each electron is treated as being free to move anywhere in the molecular framework. (4) The theory should be developed in such a way that the results can be interpreted in detail and used to support or discount qualitative hypotheses. For example, it is useful if the electronic charge distribution calculated from a wave function can be easily and realistically divided into contributions on individual atoms