Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Ben-hai Yu"'
Autor:
Ben-hai Yu, Wen-qi Liu
Publikováno v:
Atlantis Highlights in Intelligent Systems ISBN: 9789464630091
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e264fe44c96ad2628c1701a86c954deb
https://doi.org/10.2991/978-94-6463-010-7_35
https://doi.org/10.2991/978-94-6463-010-7_35
Autor:
Qing-Bin Tang, Lu-Ke Shi, Ke Zhang, Shuai-Jie Kang, Zheng-Fa Li, Yin-Meng Wu, Ling-Ling Qin, Chun-Yang Zhai, Ai-Hua Liu, Ying-Bin Li, Ben-Hai Yu
Publikováno v:
Communications in Theoretical Physics. 75:035502
We theoretically investigate the frustrated double ionization (FDI) of molecules with different alignment-dependence using a three-dimensional classical ensemble method. The numerical results show that the FDI probability decreases with increasing wa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c0894a66503cfde5fd4c8cc63dc9533f
https://doi.org/10.1088/1572-9494/acb14c
https://doi.org/10.1088/1572-9494/acb14c
Autor:
Ben-Hai Yu, Dong Chen
Publikováno v:
Journal of Alloys and Compounds. 581:747-752
The phase boundaries of the β → P 6 ¯ ′ → δ transitions are investigated using first-principles calculations within the quasi-harmonic approximation. The agreement between the calculated properties of β-Si 3 N 4 (benchmark system) and other
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4254d7b7f11e03b36ca9a44c5a449a81
https://doi.org/10.1016/j.jallcom.2013.07.176
https://doi.org/10.1016/j.jallcom.2013.07.176
Publikováno v:
Advanced Materials Research. 580:461-464
We have carried out first-principles calculations to study the lattice constants, elastic constants and some fundamental electronic properties of lanthanum hexaboride under different pressures. The calculated bulk modulus and lattice constant are in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::788a3a3a2500d4ec7ba229b05351555f
https://doi.org/10.4028/www.scientific.net/amr.580.461
https://doi.org/10.4028/www.scientific.net/amr.580.461
Publikováno v:
Advanced Materials Research. 571:292-295
We report ab initio calculations of the structural, elastic and optical properties of the compound LaB6 as a function of pressure. The computation is based on the density functional theory in combination with the generalized gradient approximation fu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8dc901e87b5a5c9ae037f3a07dc2f23a
https://doi.org/10.4028/www.scientific.net/amr.571.292
https://doi.org/10.4028/www.scientific.net/amr.571.292
Publikováno v:
Advanced Materials Research. :2288-2291
Based on the density functional theory, the plane-wave pseudo-potential method is performed to investigate the structural properties of α-Si3N4. The ground-state lattice parameters (i.e. lattice constants and cell volume) agree quite well with the e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5a19a3528fcbd8c3813b89f0378d2716
https://doi.org/10.4028/www.scientific.net/amr.415-417.2288
https://doi.org/10.4028/www.scientific.net/amr.415-417.2288
Autor:
Dong Chen, Ben Hai Yu
Publikováno v:
Advanced Materials Research. :886-891
the equilibrium lattice constants, elastic and thermodynamic properties of cubic CdTe are systemically investigated at high temperature using the plane-wave pseudopotential method as well as the quasi-harmonic Debye model. The bulk modulus of CdTe ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a40531e4ff3ceb84290bd07d5e6c325a
https://doi.org/10.4028/www.scientific.net/amr.268-270.886
https://doi.org/10.4028/www.scientific.net/amr.268-270.886
Publikováno v:
Advanced Materials Research. :1619-1624
The ground-state lattice constants, bulk modulus and six independent elastic constants of β-Si3N4 have been calculated through the framework of density functional theory within the plane-wave pseudopotential method. The quasi-harmonic Debye model, b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::541c508a760c69186cffa81bc1bf3e50
https://doi.org/10.4028/www.scientific.net/amr.217-218.1619
https://doi.org/10.4028/www.scientific.net/amr.217-218.1619
Publikováno v:
International Journal of Quantum Chemistry. 109:202-209
The coupled-cluster singles-doubles-approximate-triples [CCSD(T)] theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions (aug-cc-pV5Z) is used to investigate the spectroscopic properties of the ND(X
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::32183a3fe0ccb55bc7221060ff4fee51
https://doi.org/10.1002/qua.21802
https://doi.org/10.1002/qua.21802
Publikováno v:
The European Physical Journal D. 49:51-57
Total cross sections for electron scattering by large molecules C4H8O, C5H10O2, C6H5F, C6H5Cl, C6F5Cl, C6H4(CHO)F and C4H8O2 are calculated at the Hartree-Fork level using the modified additivity rule approach. The modified additivity rule approach,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2c40d4db8aab2ec1e09587f2c65a7aa0
https://doi.org/10.1140/epjd/e2008-00130-3
https://doi.org/10.1140/epjd/e2008-00130-3