Suchergebnisse - "wavefunction"

We report a computational investigation on the reachability of the molecular similarity index (MSI) approach for predicting the relative drug strength of methylcarbamate derivatives. Traditional MSI values have been obtained by calculating the overlap integral of total electron momentum densities be...

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Modern multi-color RGB micro-light emitting diode (μLED) displays and digital micro-mirror laser projectors often require the use of both III-V and III-Nitride material systems for different pixel/laser colors. This is due primarily to the conventionally low efficiencies of red...

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We present an explicit numerical method to solve Milne’s phase–amplitude equations. Existing methods directly solve Milne’s nonlinear equation for amplitude. For that reason, they exhibit high sensitivity to errors and are prone to instability through the growth of a spurious, rapidly varying compon...

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The current research presented the value of the lowest state energy for (GaMn)As/GaAs Quantum Well by using the Schrodinger equation and the localization landscape method, and a comparison between the quantum confinement potential and the wavefunction localization of both the landscape method and t...

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In this paper the mean penetration depths z0 and  Makhov (Implantation) profile I(z,E) were evaluated for low energies positrons(1.5-30/keV)by using a distribution function of  Valkealahti - Nieminen for Germanium for different thicknesses:0.2, 0.4,0.8,1.2,1.4,1.6 μm. The obtained results reveals t...

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Following the lead of heterogeneous and invariably brilliant thinkers as Thucydides, Arnold J. Toynbee, Winston Churchill, Carl Sagan, Philip K. Dick, and Niall Ferguson, I consider a virtual history - or an alternative Everettian branch of the universal wavefunction - in which the ancient materiali...

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Spectral features of photoionization of various levels of C III are reported. These include characteristics of Rydberg and Seaton resonances, low and high excited levels, lifetimes, and total and partial cross sections. Calculations are performed in the relativistic Breit–Pauli R-matrix method with...

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We show numerical evidence for a bipartite <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>d</mi><mo>×</mo><mi>d</mi></mrow></semantics></math><...

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We consider a two-component Bose–Bose mixture at infinitely strong repulsive interactions in a tightly confining, one-dimensional ring trap and subjected to an artificial gauge field. By employing the Bethe Ansatz exact solution for the many-body wavefunction, we obtain the ground state energy and t...

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We propose a set of variational wavefunctions for the sub-gap spin-doublet and spin-singlet eigenstates of the particle-hole symmetric superconducting Anderson impurity model. The wavefunctions include up to two Bogoliubov quasiparticles in the continuum which is necessary to correctly capture the w...

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Abstract Kaluza-Klein theory, by which we mean vacuum gravity in 5-dimensions, with asymptotics that are a product of a circle with Minkowski spacetime, has a variety of different static black hole solutions; localized black holes and the homogeneous and inhomogeneous black strings. There is current...

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Radial density distribution function of one particle D(r1) was calculated for main orbital of carbon atom and carbon like ions (N+ and B- ) by using the Partitioning technique .The results presented for K and L shells for the Carbon atom and negative ion of Boron and positive ion for nitrogen i...

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The fractional quantum Hall effect (FQHE) realized in two-dimensional electron systems is explained by the emergent composite fermions (CF) out of ordinary electrons. It is possible to write down explicit wavefunctions explaining many if not all FQHE states. In bilayer systems there is a regime at i...

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We develop a formalism for computing the scattering amplitudes in maximally symmetric de Sitter spacetime with compact spatial dimensions. We describe quantum states by using the representation theory of de Sitter symmetry group and link the Hilbert space to “inertial” geodesic observers. The positi...

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The deceptively simple crystallographic structure of early transition metal oxide perovskites belies the complexity and variety of electronic, magnetic and structural phases that they display. Structural defects, rotations, tilts, deformations of the oxygen-transition metal element octahedra help ex...

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This manuscript introduces a comprehensive framework for augmenting classical statistical methodologies through the targeted integration of core quantum mechanical principles—specifically superposition, entanglement, measurement, wavefunctions, and density matrices. By concentrating on these foundat...

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Modeling many-body quantum systems is widely regarded as one of the most promising applications for near-term noisy quantum computers. However, in the near term, system size limitation will remain a severe barrier for applications in materials science or strongly correlated systems. A promising aven...

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This is a numerical investigation of optical and electronic characteristics of GaAs spherical quantum dots based on single and double quartic potentials and presenting a hydrogenic impurity at their center. The radial Schrödinger equation was solved using the finite difference method (FDM) to obtain...

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