氦原子1sns组态能量及其相对论修正

利用Mathemtica语言开发了一套计算氦原子1sns组态能量的程序.提出了构造氦原子1sns组态波函数的新方法,利用Rayleigh-Ritz变分法对氦原子1sns(n=2—5)组态的非相对论能量进行了计算,并计算了其相对论修正值(包括质量修正、单体达尔文修正、双体达尔文修正、自旋-自旋接触相互作用修正、轨道-轨道相互作用修正),计算结果与实验值相当接近. 关键词： 氦原子 能量 变分法 Mathemtica程序     

Energy bands of solid argon

The band structure of solid argon has been calculated using a classical, non-relativistic, nonselfconsistent APW method. The crystal potential was constructed by a superposition of atomic potentials due to the neighbouring atoms. We used Slater's statistical exchange potential approximation. Our results have generally confirmed those by Mattheiss. Our calculation is extended however to include a wider energy region and other symmetry directions than those carried out by Mattheiss.     

三价原子的非相对论能级结构理论

本文以原子结构的拉卡方法为基础,从三价原子的拉卡基出发,反复利用三个角动量耦合的基本关系以及3j、6j、9j符号的性质,具体推导了(n1 l1)(n2 l2)(n3l3)和(n1 l1)2(n3l3)组态下三价原子非相对论哈密顿矩阵元的计算式,除径向部分用Slater-Condon径向积分表示以外,完成了所有的角向积分与自旋求和;简要举例说明了如何利用该矩阵元计算式推导三价原子非相对论谱项能量表达式以及利用变分原理确定其中的Slater-Condon径向积分,从而求出具体的谱项能量数值.可以说,本文已建立起三价原子非相对论性能级结构的一般理论.     

等离子体屏蔽效应对Ar~(16+)基态和激发态能级的影响

基于Rayleigh-Ritz变分原理,发展了一套处理弱耦合等离子体环境中多电子原子(离子)非相对论能量及其相对论修正的解析方法.通过考虑电子间交换相互作用以及内外壳层电子的屏蔽效应,计算了Ar~(16+)基态1s~2~1S、单激发态1sns~(1,3)S (n=2—5), 1snp~(1,3)P (n=2—5)和双激发态2snp~1P (n=2—5)非相对论能量及其相对论修正值(包括质量修正、单体和双体达尔文修正以及自旋-自旋接触相互作用项),讨论了等离子体屏蔽效应对能级的影响.结果表明:相对论质量修正和第一类达尔文修正占主导,比其他相对论修正项高出三个数量级.此外,等离子体屏蔽效应具有明显的态选择性,屏蔽效应对外壳层电子的影响大于内壳层电子,随着等离子体屏蔽参数的增加,外壳层电子轨道向外延展,激发态越高,延展程度越大.     

Complete Lamb-shift calculation to order α5 by applying the methods of non-relativistic quantum electrodynamics

Summary It is shown, for the first time to our knowledge, that the Lamb shift for the states of hydrogenic atoms can be almost completely calculated by applying the methods of non-relativistic quantum electrodynamics and without using the Dirac equation and the second quantization for the electron. By taking into account the spin-orbit interaction, the complete Lamb shift to order α⁵ is calculated for different hydrogenic states. The author of this paper has agreed to not receive the proofs for correction.     

A New Coherent States Approach to Semiclassics Which Gives Scott’s Correction

We introduce a new semiclassical calculus by generalizing the standard coherent states. This is applied to the semiclassical expansion for the sum of negative eigenvalues of Schrödinger operators which leads to a new proof of the Scott correction for non-relativistic molecules.Work partially supported by an EU TMR grant, by a grant from the Danish research council, and by MaPhySto – Centre for Mathematical Physics and Stochastics, funded by a grant from The Danish National Research Foundation. ©2003 by the authors. This article may be reproduced in its entirety for non-commercial purposes.     

多电子原子能量的相对论修正

以Breit-Pauli哈密顿的球张量形式为基础,借助不可约张量理论,建立了计算多电子原子能量的相对论修正的一种解析理论形式,导出了多电子原子相对论修正项(包括相对论质量修正项、单体和双体达尔文修正项、自旋-自旋接触相互作用项和轨道-轨道相互作用项)在斯莱特表象中的矩阵元的解析表达式,完成了所有角向积分和自旋求和计算.利用所建立的理论,对类锂体系(1s)2(2p)2P态能量的相对论修正进行了具体计算.     

The Flux-Across-Surfaces Theorem and Zero-Energy Resonances

In this contribution we shall first introduce the Flux Across Surfaces (FAS) theorem, placing it in the general context of the Quantum Scattering Theory. Then we shall review briefly the theory of resonances in non-relativistic Quantum Mechanics and outline a proof of the FAS theorem for non-relativistic potential scattering, which covers also the case in which there is a zero energy resonance.     

The Thermodynamic Limit for Matter Interacting with Coulomb Forces and with the Quantized Electromagnetic Field: I. The Lower Bound

The proof of the existence of the thermodynamic limit for electrons and nuclei interacting via the Coulomb potential, was accomplished decades ago in the framework of non-relativistic quantum mechanics, . This result did not take account of interactions caused by magnetic fields, however, (the spin-spin interaction, in particular) or of the quantized nature of the electromagnetic field. Recent progress has made it possible to undertake such a proof in the context of non-relativistic QED. This paper contains one part of such a proof by giving a lower bound to the free energy that is proportional to the number of particles and which takes account of the fact that the field, unlike the particles, is never confined to a finite volume. In the earlier proof the lower bound was a ‘two line’ corollary of the ‘stability of matter’. In QED the proof is much more complicated.©2004 by the authors. This paper may be reproduced, in its entirety, for non-commercial purposes.Work partially supported by U.S. National Science Foundation grant PHY 01-39984.Work partially supported by U.S. National Science Foundation grant DMS 03-00349.     

氦原子(n1sn2p)组态精细结构的解析计算

以双电子原子精细结构哈密顿的球张量形式和二价原子的非相对论性能级结构理论为基础,借助不可约张量理论,导出了氦原子(n1sn2p)组态精细结构能级的解析表达式,在这一过程中,完成了所有的角向积分和自旋求和计算,其结果用若干个径向矩阵元形式来表示.     

类碳体系基态能量的相对论修正(英文)

以Breit-Pauli哈密顿的球张量形式为基础,借助不可约张量理论,将多电子原子能量的相对论修正理论拓展到了原子的拉卡波函数为多个Slater基函数的线性组合的情形,导出了此情形下多电子原子能量相对论修正(包括相对论质量修正项、单体和双体迭尔文修正项、自旋-自旋接触相互作用项)的解析表达式,完成了所有角向积分和自旋求和计算.利用所建立的理论,对类碳体系基态能量的相对论修正进行了具体计算.     

The Thomas-Fermi-Theory as result of a strong-coupling-limit

The energy of non-relativistic neutral atoms is shown to approach asymptotically the Thomas-Fermi-energy, when the charge of the nucleus tends to infinity.     

Spectral Theory for the Standard Model of Non-Relativistic QED

For a model of atoms and molecules made from static nuclei and non-relativistic electrons coupled to the quantized radiation field (the standard model of non-relativistic QED), we prove a Mourre estimate and a limiting absorption principle in a neighborhood of the ground state energy. As corollaries we derive local decay estimates for the photon dynamics, and we prove absence of (excited) eigenvalues and absolute continuity of the energy spectrum near the ground state energy, a region of the spectrum not understood in previous investigations. The conjugate operator in our Mourre estimate is the second quantized generator of dilatations on Fock space. Supported by NSERC under Grant NA 7901.     

类锂离子里德堡态中的自旋-其它轨道相互作用

以多电子原子精细结构哈密顿的球张量形式和三价原子的非相对论性能级结构理论为基础,借助不可约张量理论,建立了计算类锂离子里德堡态中的自旋-其它轨道相互作用能的一种解析理论形式.完成了所有的角向积分和自旋求和计算,自旋-其它轨道相互作用能最终用径向积分来表示.应用所建立的理论对类锂离子(1s2np)2Pj态的自旋-其它轨道相互作用能进行了具体分析.     

What price the spin-statistics theorem?

We examine a number of recent proofs of the spin-statistics theorem. All, of course, get the target result of Bose-Einstein statistics for identical integral spin particles and Fermi-Dirac statistics for identical half-integral spin particles. It is pointed out that these proofs, distinguished by their purported simple and intuitive kinematic character, require assumptions that are outside the realm of standard quantum mechanics. We construct a counterexample to these non-dynamical kinematic ‘proofs’ to emphasize the necessity of a dynamical proof as distinct from a kinematic proof. Sudarshan’s simple non-relativistic dynamical proof is briefly described. Finally, we make clear the price paid for any kinematic ‘proof’.     

Inner shell ionization by heavy,charged particles and associated energy loss of the projectile

The process ofL- andM-shell ionization of atoms by heavy, charged particles is analysed in detail by a semiclassical, time-dependent perturbation method. The target electrons are described by non-relativistic hydrogenic wave functions. For the projectile is assumed a well-defined straight-line path. The Coulomb deflection and the screening is partially taken into account. The theoretical values of the total cross section is in reasonable agreement with experimental values. The condition of validity for the semi-classical method is shown to be fulfilled for all non-relativistic projectile energies. The projectile energy loss by ionization is further shown to be of negligible importance for the resolution of magnetic spectrographs used in nuclear structure physics.     

On the renormalization problem in non-relativistic QED: Formulation of an equivalent renormalization procedure for both non-relativistic and relativistic QED

The reasons for the wide-spread incorrect opinion that the non-relativistic QED is a non-renormalizable theory are discussed. It is pointed out that in both non-relativistic and relativistic QED the same energy renormalization condition, which, in the latter case, is reducible to the conventional mass renormalization, holds. Furthermore, by applying the energy renormalization in non-relativistic QED, for the first time, a general energy counter term, leading to finite bound-state Lamb-shift contributions in all orders of the interaction and for any initial radiation field, is derived unambiguously.     

Divergence of the Bethe-Salpeter wave function at the origin

We point out an error in the proof of Nishijima et al. that the Bethe-Salpeter wave function for composite particles, lying on Regge trajectories, is finite. We describe a simple counter-example drawn from non-relativistic quantum mechanics and cite others from field theory.     

类铝离子基态能量的相对论修正和Z相关修正

以Breit-Pauli哈密顿的球张量形式为基础,借助不可约张量理论,在拉卡表象下计算了类铝体系基态能量相对论修正(包括相对论质量修正项、单体和双体达尔文修正项、自旋-自旋接触和轨道-轨道相互作用项)。在此基础上,引入了一个与核电荷数Z相关的能量修正项,用以弥补因忽略能量的其它高阶项对原子体系能量的影响。计算结果与实验值非常接近。