共查询到20条相似文献,搜索用时 62 毫秒
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本文在多通道量子数亏损理论(MQDT)框架下,利用相对论多通道理论(RMCT),分别在冻结实近似、 考虑Δl=-1的偶极极化效应、Δl=+1的偶极极化效应、Δl=± 1的偶极极化效应、伸缩模效应以及同时考虑偶极极化效应和伸缩模效应等不同层次近似下,系统地计算了碱金属Li, Na, K, Rb, Cs和Fr七个里德伯系列的能级,即ns2S1/2, np2P1/2, np2P3/2, nd2D3/2, nd2D5/2, nf2F5/2 和nf2F7/2.计算结果表明,电子关联效应对碱金属原子的里德伯能级的影响很大.总的来说,偶极极化效应比伸缩模效应重要,而在偶极极化效应中, Δl = + 1的偶极极化效应比Δl = - 1的偶极极化效应重要.但对于Na的ns2S1/2,(nd2D3/2,nd2D5/2)里德伯系列的能级,和Li的(np2P1/2,np2P3/2)里德伯系列的能级,是伸缩模效应比较重要. 相似文献
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Yan-Hong Cui Wei Quan Tian Ji-Kang Feng De-Li Chen 《Journal of nanoparticle research》2010,12(2):429-438
Among all the 4478 classical isomers of C66, C66(C
s
:0060) with the lowest number of pentagon–pentagon fusions was predicted to be the most stable isomer, followed by isomers
C66(C
2v
:0011) and C66(C
2:0083). The infrared spectra and aromaticity of the most stable isomers were predicted. The relative stabilities of C66 isomers change with charges or doping of metals. The structures and relative stabilities of the most stable metallofullerenes
were delineated and compared with experiment. Sc2@C66(C
2:0083) was predicted to be the most stable metallofullerene, although Sc2@C66(C
2v
:0011) was observed. Charge-transfer from Sc2 to the fused pentagons and the bonding between these two moieties significantly decrease the strain energies caused by the
pair of fused pentagons thereby stabilizing the fullerene cage. 相似文献
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本文主要研究了CO2的三种同位素分子16O12C16O , 16O12C17O ,16O13C17O 70 K~6000 K的总内配分函数 (TIPS)。在总内配分函数的计算中, 转动配分函数的计算采用了McDowell的解析式法, 振动配分函数则采用了简谐振动近似(HOA)获得。最后通过将两配分函数乘积近似计算得出TIPS, 并将其70~3000 K的数据和HITRAN04数据进行了比较, 发现所得结果和数据库符合的较好, 且其误差可以近似看成一条直线。并通过对误差的拟合修订了高温区(3000~6000 K)的计算数据, 给出了在高温下的较为准确的TIPS值。 相似文献
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The magnetoelectric composites xNi0.4Zn0.6Fe2O4-(1 − x)Pb0.95Sr0.05Zr0.53Ti0.47O3 (x = 0, 0.2, 0.4, 0.6, 0.8, 1.0) were prepared by ceramic technology. It is established that these composites have a two-phase
structure. The magnetic and ferroelectric properties of the composites were studied by measuring the hysteresis loops and
the temperature dependences of corresponding quantities on the composite composition. It is revealed that the phase content
in the composite strongly affects the properties studied.
Original Russian Text ? S.A. Gridnev, A.G. Gorshkov, O.N. Korolevskaya, 2009, published in Fizika Tverdogo Tela, 2009, Vol.
51, No. 8, pp. 1464–1467. 相似文献
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The infrared spectrum of propynal, C2HCHO, is studied at high resolution (0.003 cm−1) in the range 570-640 cm−1. The relatively intense ν11 (CC-H out-of-plane bend, 693 cm−1) and ν7 (CC-H in-plane bend, 651 cm−1) fundamental bands are linked by a strong a-type Coriolis interaction. The somewhat weaker ν8 (CCO in-plane bend, 614 cm−1) fundamental has a significant Fermi-type interaction with the “dark” background state 3ν9 (∼618 cm−1). About 1400 lines are assigned and analyzed in terms of a four-state fit in order to obtain accurate band origins, rotational and centrifugal distortion parameters, and Fermi and Coriolis interaction parameters. This represents the first systematic high-resolution infrared study of propynal. 相似文献
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In this paper, double Λ binding energies BΛΛ s of ΛΛ5He(ΛΛ5H), AA4He and ΛΛ4H are calculated with the help of few-body models. The results show that stable binding state for ΛΛ5H or ΛΛ5He exists definitely with BΛΛ(ΛΛ5H)=6.75MeV and BΛΛ(ΛΛ5He)=7.67MeV,respectively. As to ΛΛ4He and ΛΛ4H, preliminary results indicate that ΛΛ4H is unstable against decaying into Λ+Λ3H, and ΛΛ4He has no binding state. 相似文献
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采用PIC-MC自洽模型,模拟了氮气电容性耦合射频放电的微观等离子体过程及带电粒子(e,N2+,N+)的行为。结果表明,离子(N2+,N+)的运动状态滞后瞬时射频电场的变化;在两极附近,N2+具较高密度,但能量较低,N+具较低的密度但能量较高,两者的密度差6倍左右。两种离子轰击射频电极的能量分布变化规律类似,随放电参数变化,离子(N2+,N+)能量变化显著,其密度变化不明显。模拟的电子能量几率分布与测量结果一致。 相似文献
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D. H. Shi J. F. Sun Y. F. Liu Z. L. Zhu H. Ma 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2009,54(1):43-50
Total cross sections of electron scattering by several
sulfur-containing molecules OCS, SO2, SF4, SF6,
SF5CF3, SO2Cl2 and SO2ClF are calculated
at the Hartree-Fork level employing the modified additivity rule
approach. The modified additivity rule approach, which was
proposed by Shi et al. [Eur. Phys. J. D 45, 253 (2007);
Nucl. Instrum. Meth. B 254, 205 (2007)], takes into
consideration that the contributions of the geometric shielding
effect vary as the energy of incident electrons, the target’s
molecular dimension and the atomic and electronic numbers in the
molecule. The present investigations cover the impact energies
ranging from 30 to 5000 eV. The quantitative total cross sections
are compared with those obtained by experiments and other
theories. Good agreement is observed even at energies of several
tens of eV. It shows that the modified additivity rule approach is
applicable to carry out the total cross section calculations of
electron scattering by these sulfur-containing molecules at
intermediate and high energies, especially over the energy range
above 100 eV or so. In the present calculations, the atoms are
still represented by the spherical complex optical potential,
which is composed of static, exchange, polarization and absorption
terms. 相似文献
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Murugesh Duraisamy Alexander L. Kagan 《The European Physical Journal C - Particles and Fields》2010,70(4):921-925
CLEO-c measurements of the timelike form factors F
π
, F
K
at ?s=3.671\sqrt{s}=3.671 GeV provide a direct probe of power corrections (PC’s) at energies near m
B
. PC’s in F
π,K
and B→Kπ,ππ are separated into perturbative and soft parts. In F
π,K
the latter are ≥O(10) larger. A PC fit to the B→Kπ,ππ data also yields a ≥O(10) soft-to-perturbative hierarchy for the QCD penguin PC’s. Hence, both can be attributed to dominance of the soft-overlap
between energetic (approximately) back-to-back collinear partons, and consistency of the B→Kπ,ππ fit with the Standard Model appears to be naturally realized. The CP asymmetries SKs p0S_{K_{s} \pi^{0}}, CKs p0C_{K_{s} \pi^{0}} are well determined, providing a clean test for new physics. 相似文献
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用790MeV136Xe轰击56Fe靶,测量了类靶碎片的质量数和原子序数。探测且鉴定了四个丰中子同位素54Ti,56V,57V,58Cr。同时提供了55Ti,58V,59Cr存在的可能性。使用西德重离子研究中心的磁谱仪和磁分析一起进行了飞行时间和ΔE-E测量,同位素鉴定是可靠的。 相似文献
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假定11Li,14Be和17B是由N=2Z核芯和两个外层中子组成的三体系统,核芯-中子和中子-中子间的作用为弱吸引指数势,不足以形成核芯-中子和中子-中子二体束缚态.本文的计算表明,核芯-中子-中子三体系统可形成束缚态,计算结果基本上解释了11Li,14Be,17B的基态能量和异常大核半径的实验结果. 相似文献
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Radiative decays π
0(π
0′) → γ + γ, π
0′ → ρ
0(ω) + γ, ρ
0′(ω′) → π
0 + γ, ρ
0′(ω′) → π
0′ + γ, and some processes of π
0′ production at lepton colliders are considered in the framework of the nonlocal SU(2) × SU(2) Nambu-Jona-Lasinio model. Mixing of the radially excited and the ground meson states is taken into account. Numerical
results for the decay and production processes are presented. 相似文献
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Pressure-induced line shift coefficients have been measured for more than 200 rovibrational lines of NH3 perturbed by O2 at room temperature (T = 295 K) in some branches of the ν2, 2ν2, and ν4 bands. These lines with J values ranging from 1 to 13 are located in the spectral range 800-1800 cm−1. Experiments were made with a high-resolution Fourier transform spectrometer. The treatment of vibration-rotation lines includes interference effects caused by the overlapping of lines. The O2 pressure-induced shift coefficients have been derived from the non-linear least-squares multi-pressure fitting technique. The results illustrate a vibrational dependence of line shifts with vibrational quantum number. Most of the measured shifts are negative in the ν4 band. They are positive for the ν2 and 2ν2 bands. The measured shift coefficients are compared with previous measurements and with those calculated from a semiclassical theory based upon the Robert-Bonamy formalism extended to the case of symmetric top molecule with inversion motion. The predictions are generally in satisfactory agreement with the experimental data. Analyses of measured and predicted results illustrate that these shifts mainly originate from the isotropic part of the intermolecular potential. 相似文献
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The far infrared and infrared spectra of formamide (HCONH2) have been recorded at high resolution (0.00125 cm−1) in the region of 90-1060 cm−1. Over 20,000 transitions from the out-of-plane NH2 wagging motion (n12 = 1 ← 0 fundamental, n12 = 2 ← 0 overtone, n12 = 2 ← 1 difference bands), torsion (n11 = 1 ← 0 bands), and out-of-phase NCO/NH2 bend (n9 = 1 ← 0 bands) have been assigned. Molecular parameters have been obtained for the ground state and the unperturbed n12 = 1 state. The least-squares fit calculations were completed with the microwave data available in the literature. The complicated resonance system between the n12 = 2, n11 = 1, and n9 = 1 states has been investigated carefully. Thus, we have been able to verify almost all resonances (avoided crossing) existing in the region J, K investigated. In the coupled Hamiltonian used for the fit, all Watson’s reduced parameters, including the octic ones and 16 Coriolis coupling parameters were taken into account. The rms deviation obtained from the fit was 0.000247 cm−1. 相似文献