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71.
72.
73.
用密度泛函B3LYP/6-311++G(d,p)方法和相对论有效实势(Lanl2dz基组)对VOn±(n=0,1,2)分子离子的势能函数及光谱常数进行了分析. 结果表明它们都能稳定存在, 其基态电子状态分别是:4Σ(VO2-), 3Σ(VO-), 4Σ(VO), 3Σ(VO+)和2Σ(VO2+). 其中VO2-和VO2+的势能函数曲线呈“火山口”型, 属于亚稳态分子离子. 用七参数Murell-Sorbie势拟合VO2-和VO2+分子亚稳态双原子分子离子势能函数, 发现其拟合曲线与势能函数曲线符合得很好. 同时,讨论了电荷对势能函数和能级的影响.
关键词:
分子离子
密度泛函理论
势能函数
能级 相似文献
74.
A.N.Behkami M.N.Nasrabadi 《理论物理通讯》2002,37(4):457-460
The level densities of even-odd and even-even isotopes^161,162Dy,^166Er and ^171,172Yb were calculated using microscopic theory of interacting fermions and compared with experiments.It is found that the data can be well reproduced with level density formalism for nuclei with static deformation.The nuclear temperature as well as the reproduced with level density formalism for nuclei with static deformation.The nuclear temperature as well as the entropy of nuclear system as a function of excitation energy has been extracted from the BCS theory.It is shown that the entropy exhibits an S-formed shape as a function of excitation energy.This is interpreted as a phase transition.Procedure of treating the even-odd and even-even nuclear systems has been presented and discussed. 相似文献
75.
76.
R.-D. Herzberg N. Amzal J.E. Bastin F. Becker P.M.T. Brew P.A. Butler A.J.C. Chewter J.F.C. Cocks O. Dorvaux K. Eskola J. Gerl P.T. Greenlees N.J. Hammond K. Hauschild K. Helariutta F. Heßberger M. Houry A. Hürstel R.D. Humphreys G.D. Jones P.M. Jones R. Julin S. Juutinen H. Kankaanpää H. Kettunen T.L. Khoo W. Korten P. Kuusiniemi Y. Le Coz M. Leino A.P. Leppänen C.J. Lister R. Lucas M. Muikku P. Nieminen R.D. Page T. Page P. Rahkila P. Reiter Ch. Schlegel C. Scholey G. Sletten O. Stezowski Ch. Theisen W.H. Trzaska J. Uusitalo H.J. Wollersheim 《The European Physical Journal A - Hadrons and Nuclei》2002,15(1-2):205-208
In-beam conversion electron spectroscopy experiments have been performed on the transfermium nuclei 253, 254No using the conversion electron spectrometer SACRED in nearly collinear geometry in conjunction with the gas-filled separator
RITU at the University of Jyv?skyl?. The experimental setup is discussed and the spectra are compared to Monte Carlo simulations.
The implications for the ground-state configuration of 253No are discussed.
Received: 21 March 2002 / Accepted: 16 May 2002 / Published online: 31 October 2002
RID="a"
ID="a"e-mail: rdh@ns.ph.liv.ac.uk
RID="b"
ID="b"Present address: GANIL, F-14021 Caen, France.
RID="c"
ID="c"Permanent address: IReS Strasbourg, IN2P3-CNRS, F-67037-Strasbourg, France.
RID="d"
ID="d"Present address: CEA/DIF DCRE/SDE/LDN F-91680 Bruyeres-le-Chatel.
RID="e"
ID="e"Present address: Daresbury Laboratory, Daresbury WA4 4AD, UK.
RID="f"
ID="f"Permanent address: IPN Lyon, IN2P3-CNRS, F-69037 Lyon, France. 相似文献
77.
H. Sakurai 《The European Physical Journal A - Hadrons and Nuclei》2002,13(1-2):49-53
Recent studies on nuclear structure by using radioactive isotope beams available at the RIKEN projectile-fragment separator
(RIPS) are introduced. Special emphasis is given to two selected experiments from recent programs that highlight studies on
the magicity loss observed for very neutron-rich nuclei beyond N = 20 in the “island-of-inversion” region; the particle stability of 31F, and the low-lying excited states of 34Mg.
Received: 1 May 2001 / Accepted: 4 December 2001 相似文献
78.
79.
C. Andreoiu M. Axiotis G. de Angelis J. Ekman C. Fahlander E. Farnea A. Gadea T. Kröll S.M. Lenzi N. Mărginean T. Martinez M.N. Mineva C. Rossi Alvarez D. Rudolph C.A. Ur 《The European Physical Journal A - Hadrons and Nuclei》2002,15(4):459-462
Excited states in 59Zn were observed for the first time following the fusion-evaporation reaction 24Mg + 40Ca at a beam energy of 60 MeV. The GASP array in conjunction with the ISIS Silicon ball and the NeutronRing allowed for the
detection of γ-rays in coincidence with evaporated light particles. The mirror symmetry of 59Zn and 59Cu is discussed.
Received: 28 May 2002 / Accepted: 10 July 2002 / Published online: 3 December 2002
RID="a"
ID="a"Present address: Oliver Lodge Laboratory, University of Liverpool, P.O. Box 147, Liverpool, L69 7ZE, United Kingdom; e-mail: ca@ns.ph.liv.ac.uk.
RID="b"
ID="b"Present address: Physik-Departament, Technische Universit?t München, D-85748 Garching, Germany.
Communicated by W. Henning 相似文献
80.
C.-B. Moon T. Komatsubara Y. Sasaki T. Jumatsu K. Yamada K. Satou K. Furuno 《The European Physical Journal A - Hadrons and Nuclei》2002,14(1):13-16
Excited states of the 119Xe nucleus have been studied by using in-beam γ-ray spectroscopy with the 107Ag ( 16O, p3n) 119Xe fusion-evaporation reaction at a beam energy of 85 MeV. The level scheme of 119Xe has been derived from γ-γ coincidence and γ-γ angular correlation analyses. We have, for the first time, established the
second negative-parity favored and unfavored states built on the 11/2- state, namely the yrare rotational bands in 119Xe. In contrast to the behavior of the yrast bands where the favored states are lying lower in energy, the yrare favored states
were observed to lie above the unfavored band. Such a signature inversion in 119Xe is changed to be normal at I = 12?.
Received: 8 January 2002 / Accepted: 18 April 2002 相似文献