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Ágnes Nagy
The density functional theory proposed earlier for excited states of Coulomb systems is discussed. The localized Hartree?Fock (LHF) and the Krieger, Li, and Iafrate (KLI) methods combined with correlation are generalized for excited states. Illustrative ...
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Vitaly Glushkov and Mel Levy
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David M. Goldie
A series of polyester films doped with a hole transport molecule, p-diethylaminobenzaldehyde-1,1'-diphenylhydrazone (DEH), have been systematically exposed to ultraviolet radiation with a peak wavelength of about 375 nm. The electronic performance of the...
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ChunMei Liu, Jörn Manz and Jean Christophe Tremblay
This article starts with an introductory survey of previous work on breaking and restoring the electronic structure symmetry of atoms and molecules by means of two laser pulses. Accordingly, the first pulse breaks the symmetry of the system in its ground...
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A. Singh, T. P.J. Kruger
Pág. 2 bladsye
No abstract available.
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Ágnes Nagy and Karlheinz Schwarz
The properties of many materials at the atomic scale depend on the electronic structure, which requires a quantum mechanical treatment. The most widely used approach to make such a treatment feasible is density functional theory (DFT), the advances in wh...
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Karlheinz Schwarz
The routinely made assumptions for simulating solid materials are briefly summarized, since they need to be critically assessed when new aspects become important, such as excited states, finite temperature, time-dependence, etc. The significantly higher ...
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Elisa Maria Gandolfo, José Roberto Brandao Oliveira, Luigi Campajola, Dimitra Pierroutsakou, Alfonso Boiano, Clementina Agodi, Francesco Cappuzzello, Diana Carbone, Manuela Cavallaro, Irene Ciraldo, Daniela Calvo, Franck Delaunay, Canel Eke, Fabio Longhitano, Nilberto Medina, Mauricio Moralles, Diego Sartirana, Vijay Raj Sharma, Alessandro Spatafora, Dennis Toufen and Paolo FinocchiaroaddShow full author listremoveHide full author list
The G-NUMEN array is the future gamma spectrometer of the NUMEN experiment (nuclear matrix element for neutrinoless double beta decay), to be installed around the object point of the MAGNEX magnetic spectrometer at the INFN-LNS laboratory. This project a...
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Pengfei Xing, Lixun Lu, Guobin Li, Xin Wang, Honglin Gao, Yuchao Song and Hongpeng Zhang
In order to identify the natural frequency of ship propulsion shafting under the running condition, a multi-method approach that combines Duffing Oscillator, harmonic wavelet packet transform, and probability density function is proposed. An experimental...
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Larissa P. Souza, João G. M. Carneiro, Arlen M. Lastre-Acosta, Bruno Ramos and Antonio C. S. C. Teixeira
To investigate the impact of antidepressants (ANT) in water, estimates of the direct and indirect photolysis of standard fluoxetine hydrochloride (FLX) and a pharmaceutical alternative, fluoxetine sulfate (FLXSO4), were evaluated. The second-order kineti...
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Hanen Souissi and Tahani A. Alrebdi
We have investigated, in a previous work, the transition dipole moments (TDM) of the 13 1S+ states of the (SrK)+ molecular ion by using the ab initio method based on the pseudo-potential approach. The radiative lifetimes for all vibrational levels of A a...
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Jianmin Tao, Giovanni Vignale and Jian-Xin Zhu
The foundation of many approximations in time-dependent density functional theory (TDDFT) lies in the theory of the homogeneous electron gas. However, unlike the ground-state DFT, in which the exchange-correlation potential of the homogeneous electron ga...
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Shiyu Wang and Ying Lei
Inaccurate mass estimates have been recognized as an important source of uncertainty in structural identification, especially for large-scale structures with old ages. Over the past decades, some identification algorithms for structural states and unknow...
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Adel El-Shahat, Joshua Danjuma, Almoataz Y. Abdelaziz and Shady H. E. Abdel Aleem
Wireless charging schemes aim to counter some drawbacks of electric vehicles? wired charging, such as the fact that it does not encourage mobility, leads to safety issues regarding high voltage cables, power adapters high cost, and has more battery waste...
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Nicole E. Kirchner-Hall, Wayne Zhao, Yihuang Xiong, Iurii Timrov and Ismaila Dabo
Accurate computational predictions of band gaps are of practical importance to the modeling and development of semiconductor technologies, such as (opto)electronic devices and photoelectrochemical cells. Among available electronic-structure methods, dens...
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Filip Anic, Davorin Penava, Vasilis Sarhosis and Lars Abrahamczyk
Within the scope of literature, the influence of openings within the infill walls that are bounded by a reinforced concrete frame and excited by seismic drift forces in both in- and out-of-plane direction is still uncharted. Therefore, a 3D micromodel wa...
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Hryhorii Ilchuk,Andrii Kashuba,Ivan Kuno,Sergey Sveleba,Taras Malyi,Roman Petrus,Volodymyr Tsiumra,Ihor Semkiv
Pág. 24 - 30
Monocrystals (N(CH3)4)2MnCl4 were grown from an aqueous solution of salts by slow evaporation at room temperature. The effect of phase transitions on the behavior of photoluminescence spectra, as well as excitation spectra and time of attenuation of the ...
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Osama Bagi Aljewaw, Muhammad Khalis Abdul Karim, Halimah Mohamed Kamari, Mohd Hafiz Mohd Zaid, Noramaliza Mohd Noor, Iza Nurzawani Che Isa and Mohammad Hasan Abu Mhareb
In this study, a series of Li2O-Al2O3-B2O3 glasses doped with various concentrations of Dy2O3 (where x = 0.0, 0.2, 0.4, 0.6, 0.8, and 1.0 mol%) were prepared by using a conventional melt-quenching technique. The structural, physical and optical propertie...
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Mohammed Mahmoud, Mark Hoffmann and Hassan Reza
Sparse matrix-vector multiplication (SpMV) can be used to solve diverse-scaled linear systems and eigenvalue problems that exist in numerous, and varying scientific applications. One of the scientific applications that SpMV is involved in is known as Con...
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G. V. MÜLLER,T. AMBRIZZI
Based on previous observational studies on cold extreme events over southern South America, some recent studies suggest a possible relationship between Rossby wave propagation remotely triggered and the occurrence of frost. Using the concept of linear th...
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