نتایج جستجو برای: ground state solution

تعداد نتایج: 1377764  

Journal: :Organic & biomolecular chemistry 2010
Claire Seillan Philippe Marsal Olivier Siri

A new and efficient one-pot synthesis of highly stable bridged-bisphenazine-type molecules with loss of their aromaticity in the ground state in favor of a quinoid-type structure is described (either in solution or in solid-state).

2008
Makoto Homma

We construct a set of exact ground states with a localized ferromagnetic domain wall and an extended spiral structure in a quasi-one-dimensional deformed flatband Hubbard model. In the case of quarter filling, we show the uniqueness of the ground state with a fixed magnetization. The ground states with these structures are degenerated with the all-spin-up and all-spin-down states. This property...

Vibration-rotation and pure rotational data in the X2Σ+ ground state and electronic data from the A2Π – X2Σ+ and B2Σ+ − X2Σ+ transitions of CaH and CaD were used in the quantum-mechanical direct-potential-fit (DPF) analysis to determine an analytic potential energy function for the X2Σ+ ground state of CaH, and a radial correction function for the CaD isotopologue. The potential energy function...

A.M.O. Abdul Raheem

The Ultraviolet-visible (UV) spectra of toluene, ortho-bromo and para-bromo toluene in different solvents have been studied. The electric dipole moments and polarizabilities in the molecular excited electronic states were determined. It was found that the electric dipole moments for the excited states (µ*) and the ground states (µ) of these compounds are equal, and the change in dipole moment i...

Journal: :Physical chemistry chemical physics : PCCP 2010
Thomas Lenzer Florian Ehlers Mirko Scholz Rainer Oswald Kawon Oum

The so-called S* state has been suggested to play an important role in the photophysics of beta-carotene and other carotenoids in solution and photosynthetic light-harvesting complexes, yet its origin has remained elusive. The present experiments employing temperature-dependent steady-state absorption spectroscopy and ultrafast pump-supercontinuum probe (PSCP) transient absorption measurements ...

2013
Sergej Repin

Abstract: Building processes are associated with impacts on the ground. The ground's ability to resist the load created by structures or to withhold the impact of earth-moving machines is estimated by the plasticity theory methods. The article presents a theoretical analysis of the stressed state of a layer of disc-shaped bulk material. The obtained theoretical models of the minimal, maximal an...

2017
Simeon Hellerman Nozomu Kobayashi Shunsuke Maeda Masataka Watanabe

In this note we search for the ground state, in infinite volume, of theD = 3WilsonFisher conformal O(4) model, at nonzero values of the two independent charge densities ρ1,2. Using an effective theory valid on scales longer than the scale defined by the charge density, we show that the ground-state configuration is inhomogeneous for generic ratios ρ1/ρ2. This result confirms, within the context...

2005
N. Oelkers

We extend the exact periodic Bethe Ansatz solution for onedimensional bosons and fermions with δ-interaction and arbitrary internal degrees of freedom to the case of hard wall boundary conditions. We give an analysis of the ground state properties of fermionic systems with two internal degrees of freedom, including expansions of the ground state energy in the weak and strong coupling limits. PA...

2006
Gerd Bergmann

An approximate ground state of the Anderson-Friedel impurity problem is presented in a very compact form. It requires solely the optimization of two localized electron states and consists of four Slater states Slater determinants . The resulting singlet ground-state energy lies far below the Anderson mean-field solution and agrees well with the numerical results by Gunnarsson and Schönhammer, w...

Journal: :Computer Physics Communications 2013
Marco Caliari Stefan Rainer

GSGPEs is a Matlab/GNU Octave suite of programs for the computation of the ground state of systems of Gross–Pitaevskii equations. It can compute the ground state in the defocusing case, for any number of equations with harmonic or quasi-harmonic trapping potentials, in spatial dimension one, two or three. The computation is based on a spectral decomposition of the solution into Hermite function...

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