用预言振转跃迁谱线的新公式研究AuO分子电子跃迁P支的高激发态发射谱线

本文在孙卫国等建立的预测双原子分子高转动激发态的 振转跃迁能谱的解析物理公式的基础上, 增加了该公式推导时被省略的高阶转动项H_v对能级的贡献, 获得了包含此高阶小项的预测双核体系高转动激发态的振转跃迁谱线的新表达式. 使用该新公式对AuO分子P支发射跃迁光谱的研究表明: 加入高阶转动常数H_v后的新公式所预言的振转跃迁 谱线的精度比不包含H_v 的公式给出的结果提高了约一个数量级. 因此, 更加有力地表明了使用多重差分法建立的这类物理公式在预言实 验未给出的物理数据方面的正确性和有效性. 关键词： AuO H_v')" href="#">转动常数H_v P支谱线')" href="#">P支谱线 多重差分法     

精确预言双原子分子Q线系高振转激发态的跃迁谱线

用多重差分的方法,从双原子分子跃迁谱线的普遍表达式出发,已经建立起了预言双原子分子P线系高激发振转跃迁谱线的解析物理公式。采用同样的方法,充分利用现有实验条件下测定的部分振转跃迁谱线数据,文章建立了预言双原子分子Q线系高激发振转跃迁谱线的物理公式。使用该公式和一组经过物理筛选的(15条)精确的实验跃迁谱线,研究了IrN分子A1Π—X1Σ+跃迁系统中(4,1),(3,1)跃迁带的Q支发射光谱。结果表明,该公式不仅很好地重复了所有已知的实验光谱数据,且正确预言了实验没有获得的很多高转动量子态的未知发射谱线,从而提供了一种新的预言高转动量子态的未知跃迁谱线的物理方法。     

Cl2+离子R支跃迁光谱的理论研究

从双原子分子能级的物理表达式出发进行多次微分,建立了预测双原子分子体系R支高振转跃迁谱线的新解析公式. 使用新解析公式预测双原子体系R支高阶跃迁谱线的数据时,最多只需15条精确的实验跃迁谱线和该跃迁带中对应的上下 振动态的转动光谱常数B′_v 和 B″_v.将该解析公式用于预测Cl₂⁺ 离子 A²∏_u---X²∏_g跃迁系(3,7)带和(4,8)带的跃迁谱线,不仅精确的重复了实验给出的较低阶的跃迁光谱数据值, 而且正确预言了所研究体系中缺失的振转跃迁谱线,尤其是高阶的跃迁谱线数据.     

CO电子基态P线系跃迁谱线的理论研究

基于微分的思想,结合经典的双原子分子跃迁谱线表达式,提出了预言双原子分子P线系高激发振-转跃迁谱线的新解析物理公式.对于某分子电子体系的某一P支跃迁带,利用实验上获得的一组(15条)精确的跃迁谱线和该跃迁带对应的上下振动态的转动常数(B_υ',B_υ″)的精确数据,该公式不仅可以精确地重复已知的实验跃迁谱线,而且还能预测出实验上难以获得的更高激发态的跃迁谱线数据.利用该公式,研究了CO分子电子基态的(2,0)振-转跃迁带的< 关键词： 双原子分子 发射光谱 P线系')" href="#">P线系 CO     

VN分子R线系跃迁结构的研究与分析

本文借助孙卫国课题组建立的能精确计算双原子分子R线系发射谱线的物理公式,利用实验上获得的低振动态跃迁谱线数据研究了电极材料VN分子电子态f¹Φ–a¹Δ以及电子态d¹∑⁺–X³Δ₁等跃迁体系的（0,0）跃迁带的R线系发射谱线. 从理论上预言了实验上难以获得的该跃迁带R线系高振转激发态的跃迁结构,为急需VN分子内部结构的其他研究领域提供了重要的结构信息. 从这些公式出发,我们定义了表征实验测定谱线对新谱线的贡献度C（contribution）参数,进一步分析了高激发振转跃迁谱线的相互依赖关系,结果表明该物理公式不仅很好地复现了已知的实验数据,正确地预言了实验未能测定的高激发振转跃迁谱线,而且还能了解不同实验谱线对新谱线的贡献程度,基于这些贡献度,实验学家可以将有限的资源更好地进行分配,重点研究那些贡献度大的振转跃迁谱线. 关键词： 双原子分子 跃迁谱线 贡献度 VN     

Cl_2~+离子P支高激发振转态的跃迁谱线

基于描述双核分子体系包含转动光谱常数Lv所在高阶项在内的跃迁能谱的经典表达式,采用差分收敛法(DCM)的物理思想,推导获得了求解双核分子体系P支跃迁谱线的另一解析表达形式。对于某一双核分子体系的P支跃迁带,新的谱线表达式仅需要11条精确的实验跃迁谱线就可以正确预言高激发振转态的谱线结构,同时,利用谱线展开系数C还可以进一步给出计算谱线的不确定度以更可靠地预言高激发振转态的跃迁谱线。推导获得了相应的计算公式以正确获得对应跃迁带的转动光谱常数(B_(v′),B_(v″),D_(v′),D_(v″),H_(v′),H_(v″),L_(v′),L_(v″))。应用新的谱线表达式,对~(35) Cl_2~+和~(35) Cl ~(37) Cl~+离子电子态A~2Π_u-X~2Π_g(Ω=1/2)跃迁体系(3,7)跃迁带的P支跃迁谱线进行了详细研究,获得的计算结果不但能完全重复已知的实验数据,还获得了实验上未能获得的包含高激发振转态在内的跃迁谱线。另外,通过计算同时也得到了各跃迁带的高阶转动光谱常数。该研究方法和计算结果为人们进一步正确认识Cl_2~+离子电子态的内部能级结构及物理化学的相关性质提供了更完整的参考数据。     

VO分子2^Δ3/2-1^2Δ3/2电子跃迁P线系发射谱线的研究

本文利用孙卫国课题组建立的能精确计算（预言）某双原子分子电子态P线系发射谱线的物理新公式, 首次研究了VO分子从电子态^2Δ3/2跃迁到电子态1^2Δ3/2的（0, 0）跃迁带中的P线系发射谱线. 获得的研究结果不仅重复了实验上已知的低转动态谱线数据,而且还正确预言了该跃迁带在 实验上难以精确测量的转动量子数J=80.5以内的高振转激发态的P线系发射光谱. 为研究VO分子内部结构提供了重要的物理信息.     

VO分子2△3/2—12△3/2电子跃迁P线系发射谱线的研究

本文利用孙卫国课题组建立的能精确计算(预言)某双原子分子电子态P线系发射谱线的物理新公式,首次研究了VO分子从电子态~2△3/2跃迁到电子态1~2△3/2的(0,0)跃迁带中的P线系发射谱线.获得的研究结果不仅重复了实验上己知的低转动态谱线数据,而且还正确预言了该跃迁带在实验上难以精确测量的转动量子数J=80.5以内的高振转激发态的P线系发射光谱.为研究VO分子内部结构提供了重要的物理信息.     

精确研究NbN分子d~1∑~+—b~1∑~+电子态跃迁的P线系发射光谱

本文利用最近建立的能精确求解双原子分子P线系发射光谱的物理新公式,研究了NbN分子从电子态d~1∑~+向b~1∑~+电子态跃迁中(1,1)跃迁带的P支发射光谱.获得的计算结果不仅很好地重现了已知低转动态的实验谱线数据,同时也预言了该跃迁带包含转动量子数J=80在内的高振转激发态的精确P线系发射光谱.该方法在理论上为实验技术难以精确测量的双原子分子体系提供了一种获得精确的高激发态谱线数据的物理新方法.从而可以为那些需要NbN分子高激发态跃迁谱线的研究工作提供必要的数据.     

精确研究NbN分子d1Σ+—b1Σ+电子态跃迁的P线系发射光谱

本文利用最近建立的能精确求解双原子分子P线系发射光谱的物理新公式, 研究了NbN分子从电子态d¹Σ⁺向b¹Σ⁺电子态跃迁中(1,1)跃迁带的P支发射光谱. 获得的计算结果不仅很好地重现了已知低转动态的实验谱线数据, 同时也预言了该跃迁带包含转动量子数J=80在内的高振转激发态的精确P线系发射光谱. 该方法在理论上为实验技术难以精确测量的双原子分子体系提供了一种获得精确的高激发态谱线数据的物理新方法. 从而可以为那些需要NbN分子高激发态跃迁谱线的研究工作提供必要的数据.     

Rotational Spectra of the Thiosulfeno Radical, HSS and DSS, between 0.3 and 0.9 THz

The rotational spectra of the HSS and DSS radicals were studied in selected regions between 331 and 883 GHz. The radicals were produced by discharging a gaseous mixture of hydrogen (or deuterium) and hydrogen sulfide in the cell. The observation of the b-type Q-branch and R-branch lines with K(a) = 2-1 and 3-2 for HSS and DSS, respectively, as well as the a-type R-branch lines allowed the improvement and the determination of the molecular constants among them (in MHz) We have reevaluated the harmonic force field of HSS and the ground state average and approximate equilibrium structural parameters. For the latter, we obtained r(HS) = 135.23 pm, r(SS) = 196.03 pm, and angle = 101.74 degrees. These results are compared with those from previous and own quantum chemical calculations as well as with results of related molecules. Copyright 2000 Academic Press.     

Fourier Transform Infrared spectrum of the OCD bending mode in methanol-D1

The infrared (IR) spectra corresponding to OCD bending vibration of asymmetrically deuterated methanol species CH₂DOH have been recorded with a Fourier Transform Spectrometer. The spectrum shows a typical structure of a parallel a-type band. This is expected because the bending vibration mainly executed parallel to the symmetry axis The Q-branch lines are grouped closely around 896 cm⁻¹ and the P- and R-Branches show complex structure. Nonetheless it was possible to assign a-type P- and R-branch lines up to K value of 8 and J value up to about 20 in most cases. The Q-branch lines for higher K values can be followed to about J = 15, the presence of which confirmed the assignments. The observations suggest that in the OCD bend some energy levels are highly interacted by highly excited torsional state from the ground torsional state. A full catalogue is presented along with the effective molecular parameters. An intensity anomaly was also observed in the transitions. So far it has been possible to assign only transitions between e₀ ← e₀ states. Plausible explanations of intensity anomaly are presented. Lastly, a number of optically pumped far infrared (FIR) laser lines have been assigned either to exact or tentative quantum states. These assignments should prove valuable for production of new FIR laser lines.     

Estimate of the J′J″ dependence of water vapor line broadening parameters

The dependence of water line broadening coefficients on the “good” quantum numbers − angular momentum and symmetry of the upper and lower levels − is analyzed for rotational quantum numbers up to J=50. Trends are investigated separately for P-, Q-, and R-branch transitions for the atmospherically important isotopologue of water. Results are presented which were obtained using two different methods: By averaging the broadening coefficients from HITRAN-2008 for small J values and also by averaging of data calculated using a semi-empirical method for higher J. The resulting air-broadening coefficients allow water vapor spectra with millions of weak lines to be calculated with an accuracy reasonable for many applications, for example estimation of sun radiation with low resolution. Sample results of calculations are presented.     

SiH4紫外多光子电离光谱的转动分析

本工作用激光扫描步长6×10^-4nm观测了SiH₄多光子电离光谱中363.52nm附近的精细结构。SiH₄被三光子共振激发后,作为略不对称陀螺处理。大多数转动谱线被论证为v₂振动垂直谱带的一个Q支,并推算出激发态转动常数B＇=3.04±0.01cm^-1。 关键词：     

基于先验组分的多谱CT序列DCM融合算法研究

多谱CT成像是通过不同谱段的CT图像表征检测对象中的不同组分。为了便于在同一视图中显示所有组分的信息,需要研究多谱CT序列的融合方法;但是常用融合方法如加权平均法、小波变换融合法等都是针对图像细节信息的优化,不能表达组分的物理特性,从而导致融合图像的灰度不具有物理表征性,影响CT的定量检测。为此,结合具有物理表征特征的数据约束模型(DCM),开展了基于先验组分的多谱CT序列DCM融合算法研究。首先通过能谱滤波分离的成像方法获得多个能谱范围内的多能投影数据,采用TV-OSEM算法重建不同能谱段的CT序列;其次,利用传统DCM模型和改进DCM模型分别对多谱CT序列进行融合,传统DCM模型是严格单能的,由于滤波后能谱的非严格单能特性,其融合结果不能表征出对象序列中的全部组分。针对此问题提出了改进DCM模型。改进DCM模型选择了新的体元定义,并且在多谱CT序列融合中引入先验组分作为参照,通过先验物质对融合结果中其他物质进行校准,实现检测对象中各组分位置的准确分布。仿真实验表明,该方法可从物理表征正确性的角度,实现多谱CT序列融合,在满足CT序列中不同组分区分的同时,其融合图像的灰度具有物理可参照性,有利于后续的CT定量检测。     

Absolute frequency measurements of N2O laser transitions

The absolute frequencies of 33 P- and R-branch lines of the N₂O, 00°1–10°0 laser band have been measured by heterodyning with known CO₂ laser frequencies of the 00°1 – 10°0 band in a tungsten-nickel diode. These measurements were used to calculate more precise values for the band centre and for the rotational constants.     

Collective motion from various aspects

Three methods to describe collective motion, the Random Phase Approximation (RPA), Wigner Function Moments (WFM), and Green’s Function (GF) methods, are compared in detail and their physical content analyzed in the example of a simple model, a harmonic oscillator with quadrupole-quadrupole residual interaction. It is shown that they give identical formulae for eigenfrequencies and transition probabilities of all collective excitations of the model. The exact relation between the RPA and WFM variables and the respective dynamical equations is established. The transformation of the RPA spectrum into one of WFM is explained. The very close connection of the WFM method with the GF method is demonstrated. A differential equation describing the current lines of RPA modes is established and the current lines of the scissors mode are analyzed as a superposition of rotational and irrotational components. The orthogonality of the spurious state to all physical states is proved rigorously. The text was submitted by the author in English.