An accurate theory for the square-well potential: from long to short well width

Density function theory (DFT) is combined with the first-order mean spherical approximation (FMSA) to study the radial distribution function (RDF) of the square-well (SW) potential. The combination (DFT + FMSA) is based on the direct correlation function (DCF) of the FMSA. Upon comparison with computer simulation data, DFT + FMSA is shown to give better performance than FMSA for mid- and long-range attractions. For short-range and very short-range attractions, the theory successfully corrects the deficiencies of the original FMSA. Comparisons include the evaluation of contact values, gap height at a discontinuity and profiles of the RDF. This work provides an accurate and consistent way to handle the SW potential.     

衍射光强取样分析法测定划痕宽度：实验部分

根据衍射光强取样分析法理论部分的测量原理设计了一套实验方案，比较了该方法一义、显痛实际宽度的测试结果，给出了其对测量误差，并分析了误差的主要来泊，该方法速度快，精度高，有推广和应用的价值。     

Photoionization thresholds and structures of third group metals clustered with ammonia

A photoionization study of the Me(NH₃) clusters formed in the reaction of photoablated third group metal vapor with gaseous ammonia is reported. The photoionization spectra exhibit some features due to vibrational excitation of ionic clusters and to transitions to neutral Rydberg states leading to autoionization. DFT quantum chemical calculations are performed on the Me(NH₃). The cluster geometries are fully optimized imposing the C_3v symmetry. The calculated values of the IPs are in agreement with those experimentally determined. Received: 16 February 1998 / Revised and Accepted: 7 May 1998     

塞曼效应与边缘离子温度的光谱测量

通过理论推导得到了谱线实际宽度和塞曼展宽之间的关系。在磁感应强度分别为1、2、2．5和3T的情况下，用数值方法进行了求解，用得到的结果拟合出了校正因子随离子温度变化的经验公式和拟合曲线，结果表明：离子温度较低时，塞曼效应对谱线宽度的影响很大，温度较高时，塞曼效应对谱线宽度的影响可以忽略。     

量子阱中的束缚极化子的路径积分变分研究

利用Feynman路径积分变分方法，推导了整个电声子耦合区域的量子阱中束缚极化子的基态能。对其数值结果研究表明：当量子阱的约束势达到一定值，极化子的基态能修正－△E随电声子耦合常数α的增加激剧增大，约束势导致有效电声子耦合从无约束势时的弱耦合向居间耦合或强耦合渡越。更重要的是，我们发现存在一个量子阱的临界有效宽度lz0,当lZ小于临界值时，－△E随lz变小很快增大；当lz大于临界值时，随lz变大，－△E几乎不变。     

增益介质的色散对锁模激光器输出脉宽和啁啾的影响

利用时间域内各光学元件的传播矩阵,在考虑了增益介质的色散后,对锁模激光器输出的脉宽和啁啾做了理论方面的推导,并做了相关的数值模拟,结果表明:当不考虑增益介质的色散时,其输出脉宽啁啾值为零;而考虑了增益介质的色散后,啁啾值随色散值的增加先增加而后降低,且存在一个最大值,脉宽随色散值的增加而增加.     

Growth and optical characterization of organic nonlinear optical crystal: indole-3-aldehyde

The metastable zone width for the solution of organic nonlinear material: indole-3-aldehyde (IA) has been determined for the various solvents of acetone, methanol and ethyl acetate and the corresponding IA crystals have been grown by temperature lowering technique. The surface analysis on different planes of the grown crystals has been carried out. The range of transmission and powder second harmonic generation efficiency of IA have been reported.