A theoretical forecast of the hydrogen bond changes in the electronic excited state for BN and its derivatives Tập 10 - Trang 116-123 - 2011
Dandan Wang, Ce Hao, Se Wang, Hong Dong, Jieshan Qiu
The relationship between electronic spectral shifts and hydrogen-bonding
dynamics in electronically excited states of the hydrogen-bonded complex is put
forward. Hydrogen bond strengthening will induce a redshift of the corresponding
electronic spectra, while hydrogen bond weakening will cause a blueshift.
Time-dependent density function theory (TDDFT) was used to study the excitation
energies in ... hiện toàn bộ
Notes on entropic characteristics of quantum channels Tập 11 - Trang 69-77 - 2012
Alexey E. Rastegin
One of most important issues in quantum information theory concerns transmission
of information through noisy quantum channels. We discuss a few channel
characteristics expressed by means of generalized entropies. Such
characteristics can often be treated in line with more usual treatment based on
the von Neumann entropies. For any channel, we show that the q-average output
entropy of degree q ≥ 1... hiện toàn bộ
A fluid generalization of membranes - 2011
Mark D. Roberts
In a certain sense a perfect fluid is a generalization of a point particle. This
leads to the question as to what is the corresponding generalization for
extended objects. Here the lagrangian formulation of a perfect fluid is much
generalized by replacing the product of the co-moving vector which is a first
fundamental form by higher dimensional first fundamental forms; this has as a
particular ex... hiện toàn bộ
Nonextensive statistical effects in the quark-gluon plasma formation at relativistic heavy-ion collisions energies Tập 10 - Trang 594-601 - 2012
Gianpiero Gervino, Andrea Lavagno, Daniele Pigato
We investigate the relativistic equation of state of hadronic matter and
quark-gluon plasma at finite temperature and baryon density in the framework of
the non-extensive statistical mechanics, characterized by power-law quantum
distributions. We impose the Gibbs conditions on the global conservation of
baryon number, electric charge and strangeness number. For the hadronic phase,
we study an exte... hiện toàn bộ
First-principle calculations for electronic structure and bonding properties in layered Na2Ti3O7 Tập 9 - Trang 1488-1492 - 2011
Yongliang An, Zhonghua Li, Hongping Xiang, Yongjiang Huang, Jun Shen
First-principles calculations of Na2Ti3O7 have been carried out with
density-functional theory (DFT) and ultrasoft pseudopotentials. The electronic
structure and bonding properties in layered Na2Ti3O7 have been studied through
calculating band structure, density of states, electron density, electron
density difference and Mulliken bond populations. The calculated results reveal
that Na2Ti3O7 is a ... hiện toàn bộ
Structural, morphology and electrical properties of layered copper selenide thin film Tập 7 - Trang 379-384 - 2009
J. Ying Chyi Liew, Zainal A. Talib, W. Mahmood, M. Yunus, Zulkarnain Zainal, Shaari A. Halim, Mohd M. Moksin, Wan Mohd Yusoff, K. Pah Lim
Thin films of copper selenide (CuSe) were physically deposited layer-by-layer up
to 5 layers using thermal evaporation technique onto a glass substrate. Various
film properties, including the thickness, structure, morphology, surface
roughness, average grain size and electrical conductivity are studied and
discussed. These properties are characterized by X-ray diffraction (XRD), atomic
force micro... hiện toàn bộ
Phase transition and high pressure behavior of Zirconium and Niobium carbides Tập 7 - Trang 102-107 - 2008
Archana Singh, Mahendra Aynyas, Sankar P. Sanyal
We have predicted the phase transition pressure (P T )and high pressure behavior
of Zirconium and Niobium carbide (ZrC, NbC). The high pressure structural phase
transitions in ZrC and NbC has been studied by using a two body inter-ionic
potential model, which includes the Coulomb screening effect, due to the
semi-metallic nature of these compounds. These transition metal carbides have
been found t... hiện toàn bộ
Theoretical studies of model thin EuTe films with surface elastic stresses Tập 1 - Trang 100-117 - 2003
Anna Radomska, Tadeusz Balcerzak
A simple model for the description of thin EuTe films is proposed. The
magnetoelastic interactions at the surface are taken into account. The influence
of the elastic stresses on magnetic properties of the film is studied,
especially with respect to the possibility of antiferromagnetic/ferromagnetic
phase transitions.
About Maxwell’s equations on fractal subsets of ℝ3 Tập 11 - Trang 863-867 - 2013
Alireza K. Golmankhaneh, Ali K. Golmankhaneh, Dumitru Baleanu
In this paper we have generalized $$F^{\bar \xi }$$ -calculus for fractals
embedding in ℝ3. $$F^{\bar \xi }$$ -calculus is a fractional local derivative on
fractals. It is an algorithm which may be used for computer programs and is more
applicable than using measure theory. In this Calculus staircase functions for
fractals has important role. $$F^{\bar \xi }$$ -fractional differential form is
intr... hiện toàn bộ
Few-electron semiconductor quantum dots with Gaussian confinement Tập 7 - Trang 12-21 - 2008
Sergio S. Gomez, Rodolfo H. Romero
We have performed Hartree-Fock calculations of the electronic structure of N ≤
10 electrons in a quantum dot modeled with a confining Gaussian potential well.
We discuss the conditions for the stability of N bound electrons in the system.
We show that the most relevant parameter determining the number of bound
electrons is V 0 R 2. Such a feature arises from widely valid scaling properties
of the ... hiện toàn bộ