Ab initio Prediction of the 163Ho Electron Capture Spectrum

163Ho 电子捕获谱的从头预测

• 批准号: 400329440
• 负责人: Professor Dr. Maurits Haverkort
• 金额: --
• 依托单位: Institut für Theoretische Physik
• 依托单位国家: 德国
• 项目类别: Research Units
• 财政年份: 2018
• 资助国家: 德国
• 起止时间: 2017-12-31 至 2020-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/400329440?language=en
• 关键词: Ab; initio; Prediction; 163Ho; Electron

Within this workgroup, we will ab initio predict the calorimetric electron capture spectra of 163Ho. From the particle physics point of view, the weak interaction of an electron with a proton leading to the creation of a neutron and an electron neutrino is theoretically straightforward. In a neutral atom, when this same interaction occurs, more complex processes will accompany the electron capture by the nucleus. Electrons in an atom are not independent identities and due to strong Coulomb forces, all electrons react once one electron is captured. The calorimetrically measured spectrum of Ho is thus not given by just 7 Lorentzian shaped peaks originating from capture events from the 3s to 6s and 3p1/2 to 5p1/2 shell respectively, but several additional shake-up and shake-off structures with an involved multiplet structure emerge. The theoretical description of the full spectrum requires one to have knowledge about the Green’s function propagators describing the time evolution of a Dy atom with the electron multi-configurational many body wave-function corresponding to the ground-state of Ho with one additional core hole. The time evolution involves fluorescence and Auger decays into bound and continuum states. These decays produce the tails of the spectrum and ultimately create the end-point of the spectrum that is influenced most by the mass of the neutrino.Using a combination of numerical methods as used in quantum chemistry (configuration interaction) and solid state physics (Green’s functions and renormalization group) we aim to achieve a numerical accuracy able to predict the mulitplet governed spectra of the core level decay with unprecedented precision. In order to achieve this we will include all possible local multiplets (shake-up and shake-down) as well as Auger and fluorescence yield decay of the excitations. We furthermore will consider the interaction of the local Ho 4f states with the electronic continuum of the host metal. We will develop the needed numerical methods to handle the many body correlations of both the ground-state as well as the excited states with sub-electron volt accuracy. We will furthermore provide an error estimate of the calculations indicating the maximal difference between the physical reality and calculated spectra.These calculations will firstly provide a detailed understanding of the electron capture resonances and their structure. Secondly, these calculations will provide information how much the end-point region is influenced by mulitplet excitations, extended fine-structure in the spectra due to multiple scattering events of Auger electrons in the host material and selection rules in the decay process related to the alignment of the magnetic moment of the 163Ho 4f shell and the 163Ho nucleus. The final aim is to provide a detailed understanding of the 163Ho electron capture spectrum needed for the accurate determination of the neutrino mass.

在该工作组中，我们将从始于预测163ho的Calolimetric电子捕获光谱。从粒子物理的角度来看，电子与质子的弱相互作用在理论上很简单。在中性原子中，当发生相同的相互作用时，更复杂的过程将占据核的电子捕获。原子中的电子不是独立的身份，并且由于强库仑力，所有电子在捕获一个电子后反应。因此，仅由7个洛伦兹形状的峰分别从3S到6s到6s和3p1/2到5p1/2壳的捕获事件，而是只有7个洛伦兹形状的峰，而是几个额外的移动和摇动结构，并具有涉及的多层结构出现。整个频谱的理论描述要求人们了解绿色的功能传播器，以描述Dy原子的时间演化，并使用电子多配合的许多身体波功能，与HO的地面相对应，并带有一个附加的核心孔。时间的演化涉及荧光，螺旋钻腐烂到结合和持续状态。 These decays produce the tails of the spectrum and ultimately create the end-point of the spectrum that is influenced most by the mass of the neutral.Using a combination of numerical methods as used in quantum chemistry (configuration interaction) and solid state physics (Green’s functions and renormalization group) we aim to achieve a numerical accuracy able to predict the multiplet governed spectra of the core level decay with unprecedented precision.为了实现这一目标，我们将包括所有可能的局部多重组（摇动和摇晃），以及刺激的螺旋螺旋和荧光产量衰减。此外，我们将考虑局部HO 4F状态与宿主金属的电子持续的相互作用。我们将开发所需的数值方法，以使用亚电子伏特精度来处理基地状态和激发态的许多身体相关性。此外，我们将提供计算的错误估计，以表明物理现实和计算的光谱之间的最大差异。这些计算将首先提供对电子捕获共振及其结构的详细理解。其次，这些计算将提供信息，终点区域受到多个惊喜的影响，在光谱中扩展了细微结构，这是由于托架电子在宿主材料中的多个散射事件和衰减过程中与163ho 4F壳的磁矩对齐过程中的多个散射事件和选择规则。最终目的是提供对神经元质量准确性确定所需的163HO电子捕获谱的详细理解。