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Beam－foil　Spectra　of　Doubly　Excited　Fourelectron　Quintet　States　for　N　Ⅳ－Mg　Ⅸ

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原子与分子物理学报 1996年第2期 119-129页

作者： Zhu Zhenghe(Institute of atomic and molecular {2., {3. university of Science and Technology chengdu 610065 china)J. N. Murrell(School of molecular Sciences, university of Sussex, Brighton BNI 9QJ U. K.) 四川大学原子分子物理所 university of Sussex

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关键词： Beam-foil spectra Relativistic Dirac-Fock Maximum probabilitytransition Configuration interaction rule Life time of quintet state

Measuring-basis-encrypted six-state quantum key distribution scheme

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Progress in Natural Science:Materials International 2006年第1期16卷 84-89页

作者： CHEN Pan1, DENG Fuguo1, WANG Pingxiao1 and LONG Guilu1,2.(Key Laboratory for Quantum Information and Measurements and Department of physics, Tsinghua university, Beijing 100084,{2. 2. Key Laboratory for {3. and molecular NanoSciences, Tsinghua university, Beijing 100084,{2.) Key Laboratory for Quantum Information and Measurements Department of Physics Tsinghua University Beijing 100084 China Key Laboratory for atomic and molecular NanoSciences Tsinghua University Beijing 100084 China

A six-state quantum key distribution scheme with measuring-basis encryption technique, which is based on the six-state protocol and the MBE protocol, is proposed. In this modified six-state quantum key distribution protocol, Alice and Bob use a control key to synchronize the use of their measuring-basis so that they always use the same measuring-basis. This modified six-state quantum key distribution protocol retains the advantage of higher security and at the same time has a higher efficiency.

关键词： quantum key distribution measuring-basis encrypted six-state security.

Properties of the Bimetallic RbAun(n=1-10) Clusters:Comparison with Pure Gold Clusters

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Properties of the Bimetallic RbAun(n=1-10) Clusters:Comparis...

Vertical ionization energies of halogen anions in solution

第十六届全国原子与分子物理学术会议

作者： Yan-Fei Hu Institute of atomic and molecular {2.,{3. university,chengdu 610065,china

The density functional method with relativistic effective core potential has been employed to investigate systematically the geometrical structures,relative stabilities, growth-pattern behaviors,and electronic properties of small bimetallic RbAu(n=1-10) and pure gold Au(n≤11) *** stability of the ground state structures of these clusters is examined via the analysis of the averaged stomic binding energies, fragmentation energies,and the second-order difference of energies as a function of the cluster *** calculated results indicate that the averaged binding energies of the RbAu clusters is obviously higher than that of the corresponding pure Au clusters, which implies that the doping of Rb atom can enhance the stability of the gold clusters. In addition,the HOMO-LUMO gaps,charge transfers,chemical hardnesses and polarizabilities have been analyzed and compared *** odd-even alternation behaviors have been observed.

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来源： cnki会议评论

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Science china Chemistry 2010年第6期53卷 1316-1321页

作者： CHENG XueMin,ZHU Quan,WANG XingJian,LI YunKui & LI XiangYuan College of Chemical Engineering,sichuan university,{2. {3.,china College of Chemical Engineering Sichuan University Chengdu China

Based on the constrained equilibrium state theory,the nonequilibrium solvation energy is derived in the framework of the continuum *** formula for spectral shift and vertical ionization energy are deduced for a single sphere cavity with the point charge *** new model is adopted to investigate the vertical ionization for halogen atomic and molecular anions X(X = Cl,Br,I,Cl2.Br2.I2. in aqueous *** to the calculation using the CCSD-t/aug-cc-pVQZ method in vacuum,our final estimated vertical ionization energies in solution are very close to the experimental observations,while the traditional nonequilibrium solvation theory overestimates these vertical ionization energies.

关键词： vertical ionization energy spectral shift constrained equilibrium state

Stability of Titanium-aluminium Nitride (Ti_2.lN) at High Pressure and High Temperatures

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Journal of Wuhan university of Technology(Materials Science) 2011年第5期26卷 914-919页

作者：安佩寇自力 Institute of atomic and molecular {2. Sichuan University

The stability of Ti2.lN at high pressure of 5 GPa and different temperatures of 700-1 600 ℃ was investigated using X-ray diffraction （XRD）,scanning electron microscopy （SEM） equipped with an energy dispersive spectrometer （EDS）.Ti2.lN was found to be stable at temperatures as high as 1 400 ℃under 5 GPa for 2. min,and was proved that it held better structure stability than Ti2.lC under 5 GPa through comparative experiments of Ti2.lN and Ti2.lC （representative compounds of M2.X phases （2.1 phase））.The reaction process at high pressure had some difference from that at ambient pressure/vacuum,and Ti2.lN directly decomposed to TiN and TiAl at 5 GPa and 1 500 ℃ for 2. ***,the mechanism of phase segregation was *** addition,the behavior of Ti2.lN contacting with Zr at high pressure and high temperature （HPHT） was also studied.

关键词： Ti2.lN high pressure and high temperature stability X-rMechanism and Kinetic Model of

Fluorescence fluctuation spectroscopy and its artifacts:simulations and tests

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Science china(physics,Mechanics & Astronomy) 2005年第3期48卷 336-344页

作者： MENG Fanbo 1 , CHEN Bo 1 , LIU Guang 1 , DING Jianying 1 & MA Hui 2.1 1. Department of physics and Key Laboratory of atomic and {2. Nano Sciences, Ministry of Educa- tion, Tsinghua {3., Beijing 100084, china 2. Graduate School at Shenzhen, Tsinghua {3., Shenzhen 518055, china Department of physics and Key Laboratory of atomic and {2. Nano Sciences Ministry of Education Tsinghua University Beijing China Graduate School at Shenzhen Tsinghua University Shenzhen China

Fluorescence fluctuation spectroscopy (FFS) technique is capable of monitoring changes in concentration, mass, size and structure of fluorescent-labeled bio-molecules in microscopic volume and is suitable for measuring biological interactions in living cells. FFS data may be affected by many experimental factors in complicated biological systems. Using a Monte Carlo approach, we generate fluorescence fluctuation data for different experimental systems. This approach helps to separate the contributions by different experimental factors in a complicated fluorescence fluctuation spectrum. It also helps to validate new theoretical models and new fitting formulations. We describe the algorithm of the simulation program and tests on its statistical performance. The program is then used successfully to study the effects of several experimental factors on FFS detection.

关键词： fluorescence fluctuation spectroscopy, fluorescence correlation spectroscopy, Monte Carlo simulation.

THE MACQM CALCULATION OF THE TOTAL ENERGY CURVE FOR THE ICOSAHEDRAL CENTRAL STRUCTURE OF THE CLUSTER H13.-

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原子与分子物理学报 1998年第1期 118-122页

作者： Zhang Jianping  Li Ping Gou Qingquan ( Institute of atomic and molecular Science at High Temperature and High Pressure, {2. Union {3. chengdu 610065 )

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关键词： MACQM Icosahedral central structure Cluster

Magnetism induced by nonmagnetic dopants in zinc-blende SiC: First-principle calculations

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Science china(physics,Mechanics & Astronomy) 2010年第1期53卷 1-10页

作者： LIU ZhaoQing & NI Jun Department of physics and Key Laboratory of atomic and {2. Nanoscience (Ministry of Education), Tsinghua {3., Beijing 100084, china Department of physics and Key Laboratory of atomic and {2. Nanoscience (Ministry of Education) Tsinghua University Beijing China

Magnetism induced by the nonmagnetic dopants in the zinc-blende SiC (3.-SiC) is investigated by first-principle calculations. The atoms of the first 2. elements in the periodic table except inert gas are used to replace either Si or C atoms as dopants. We find that some nonmagnetic substitutional dopants (mainly the Group IA, Group IIA, Group IIIB, and Group VIIB elements) prefer the spin-polarized ground states with local magnetic moments. In general, the condition for obtaining the local magnetic moments and the magnetic ground state requires that the dopants are p-type and have large electronegativity difference from the neighboring host atoms. The magnetic moments can be tuned over a range between 1 μ B and 3.μ B by doping with the nonmagnetic elements. The nearest-neighbor exchange couplings J 0 between the local magnetic moments are quite large and the codoping method is proposed to increase the dopant concentration. These imply that the nonmagnetic doping in SiC may exhibit collective magnetism. Moreover, the Group IIA Mg and Ca atoms substituting the preferred Si atoms favor the ferromagnetic ground states with the half-metallic electronic properties, which suggests that Mg or Ca substitutional doping on the Si sites in SiC could be a potential route to fabricating the diluted magnetic semiconductors.

关键词： nonmagnetic dopant magnetism SiC diluted magnetic semiconductor first-principle calculation

Absence of State Collapse and Revival in a Superconducting Charge Qubit

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Communications in Theoretical physics 2007年第12期48卷 1029-1032页

作者： HUO Wen-Yi~1 and LONG Gui-Lu~(1,2.3.~1 Department of physics amd Key Laboratory for Quantum Information and Measurements,Tsinghua {2.,Beijing100084,china~2.Key Laboratory for {3. and molecular Nanosciences,Tsinghua {2.,Beijing 100084,china~3.National Laboratory for Information Science and Technology,Hsinghua {2.,Beijing 100084,china Department of physics amd Key Laboratory for Quantum Information and Measurements Tsinghua University Beijing 100084 China Key Laboratory for atomic and molecular Nanosciences Tsinghua University Beijing 100084 China National Laboratory for Information Science and Technology Hsinghua University Beijing 100084 China

The Hamiltonian of a superconducting charge qubit with a configuration of dc SQUID contains an interac-tion between the LC oscillator part and charge *** interaction may leads to quantum state collapse and revivalwhich degrades the charge qubits and leads to serious *** analysis shows that the existing charge qubitparameters do not lead to this phenomenon,which is very good for the superconducting charge

关键词： quantum computer superconducting charge qubit absence and revival