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Introducing a 2nd Universal Space-Time Constant Can Explain the Observed Age of the Universe and Dark Energy
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作者 Herman A. van Hoeve 《World Journal of Mechanics》 2024年第2期9-22,共14页
The purpose of this paper is to introduce new theoretical concepts as opposed to accepting the existence of dark entities, such as dark energy. This research sought to introduce a 2<sup>nd</sup> universal ... The purpose of this paper is to introduce new theoretical concepts as opposed to accepting the existence of dark entities, such as dark energy. This research sought to introduce a 2<sup>nd</sup> universal space-time constant, besides having a finite speed constant (speed of light in vacuum c). A finite universal age constant b is introduced. Namely, this paper shows that the changes in the Earth’s anomalistic year duration over time support the hypothesis of the age of the universe correlating with a maximum number of orbital revolutions constant. Neglecting the gravitational influence of other cosmological entities in the proximity of the Earth, the constant maximum number of revolutions is herewith determined solely by the Earth’s orbital revolutions around the Sun. The value of the universal age constant b is calculated to be around 13.8 billion orbital revolutions, derived out of an equation related to the changes in the Earth’s anomalistic year duration over time and the so-called Hubble tension. The above-mentioned calculated value b correlates well with the best fit to measured data of the cosmic microwave background radiation (CMBR) by the Planck spacecraft, the age of the observed universe is measured to be approximately 13.787 ± 0.020 billion years (2018 final data release). Developing a theory with this 2<sup>nd</sup> universal space-time constant b, being covariant with respect to the Lorentz transformations when time spans are large, gives results such as: A confirmation of the measured CMBR value of 13.787 ± 0.020 billion years. Correlating well with the observed expansion rate of the universe (dark energy). The universe’s expansion accelerating over the last four to five billion years. 展开更多
关键词 Anomalistic Year orbital Revolution Hubble Tension Age of the Universe Cosmological constant Dark Energy Cosmic Microwave Background
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The Interaction of a Circularly Orbiting Electromagnetic Harmonic Wave with an Electron Having a Constant Time Independent Drift Velocity
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作者 Mirwais Rashid 《Journal of Electromagnetic Analysis and Applications》 2011年第9期373-377,共5页
A circularly orbiting electromagnetic harmonic wave may appear when a 1S electron encounters a decelerating stopping positively charged hole inside a semiconductor. The circularly orbiting electromagnetic harmonic wav... A circularly orbiting electromagnetic harmonic wave may appear when a 1S electron encounters a decelerating stopping positively charged hole inside a semiconductor. The circularly orbiting electromagnetic harmonic wave can have an interaction with a conducting electron which has a constant time independent drift velocity. 展开更多
关键词 Interaction Circularly orbiting ELECTROMAGNETIC HARMONIC Wave constant DRIFT Velocity
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Key Role of Some Specific Occupied Molecular Orbitals of Short Chain n-Alkanes in Their Surface Tension and Reaction Rate Constants with Hydroxyl Radicals: DFT Study 被引量:2
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作者 Mikhail Yu Gorbachev Natalia N. Gorinchoy Ion Arsene 《International Journal of Organic Chemistry》 CAS 2021年第1期1-13,共13页
Basing on the DFT calculations we propose the new theoretical model which describes both the surface tension σ of the short chain n-alkanes at their normal boiling points and their reaction rate constants with hydrox... Basing on the DFT calculations we propose the new theoretical model which describes both the surface tension σ of the short chain n-alkanes at their normal boiling points and their reaction rate constants with hydroxyl radicals OH<span style="white-space:nowrap;">&bull;</span> (at 297 ± 2 K) on the basis of their molecular orbital electronic characteristics. It has been shown that intermolecular dispersion attraction within the surface liquid monolayer of these compounds, as well as their reaction rate constants k with OH<span style="white-space:nowrap;">&bull;</span> radicals are determined by the energies <em>E<sub>orb</sub></em> of the specific occupied molecular orbitals which are the same in the determination of both the above physico-chemical characteristics of the studied n-alkanes. The received regression equations confirm the theoretically found dependences between the quantities of σ and k and the module |<em>E<sub>orb</sub></em>|. For the compounds under study this fact indicates the key role of their electronic structure particularities in determination of both the physical (surface tension) and the chemical (reaction rate constants) properties. 展开更多
关键词 Surface Tension Reaction Rate constants N-ALKANES Hydroxyl Radicals Dispersion Attraction orbital Controlled Interactions DFT Calculations
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Molecular Orbital Nature of Solubility of Shot Chain n-Alkanes in Water and Their Reaction Rate Constants with Nitronium Cations: A DFT Study
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作者 Mikhail Yu. Gorbachev Natalia N. Gorinchoy 《International Journal of Organic Chemistry》 CAS 2022年第2期92-101,共10页
The new theoretical models describe both the solubility S of the shot chain n-alkanes in water at 298.15 K, and their reaction rate constants k with nitronium cation NO<sub>2</sub><sup>+ </sup>... The new theoretical models describe both the solubility S of the shot chain n-alkanes in water at 298.15 K, and their reaction rate constants k with nitronium cation NO<sub>2</sub><sup>+ </sup>at 293.15 K on the basis of their molecular orbital characteristics. It is shown that both the quantities S and k are determined by the energies E<sub>orb</sub> of the specific virtual (for S) and occupied (for k) molecular orbitals of these n-alkanes. The obtained regression equations confirm the theoretically found dependences of S and k on the absolute value of E<sub>orb</sub>. This fact demonstrates that the electronic structure particularities of the studied n-alkanes play a crucial role in both their above-mentioned physicochemical properties. 展开更多
关键词 Solubility in Water Reaction Rate constants N-ALKANES Nitronium Cations orbital Controlled Interactions DFT Calculations
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一种常值推力作用的轨道机动优化设计策略
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作者 刘将辉 彭祺擘 +1 位作者 张海联 周建平 《宇航学报》 EI CAS CSCD 北大核心 2024年第3期389-398,共10页
针对常值推力作用的航天器轨道机动优化设计问题开展研究,推导了航天器三维空间轨道机动动力学模型,对动力学模型各参数进行无量纲化处理以防止计算过程中出现奇异。提出了一种先轨道等待再轨道机动的优化设计策略,航天器先在初始轨道... 针对常值推力作用的航天器轨道机动优化设计问题开展研究,推导了航天器三维空间轨道机动动力学模型,对动力学模型各参数进行无量纲化处理以防止计算过程中出现奇异。提出了一种先轨道等待再轨道机动的优化设计策略,航天器先在初始轨道上无动力飞行一段时间进行轨道等待,然后寻找一个最优时刻施加推力再进行轨道机动。该策略将航天器的最优等待时刻和轨道机动过程中的最优控制量作为整体统一进行优化。通过基于分段积分技术的多重直接打靶法将原先复杂的轨迹优化设计问题转化为每个子时间区间的非线性规划问题,采用内点法进行求解。仿真验证了本文优化设计策略的有效性。 展开更多
关键词 三维空间轨道 轨道等待 轨道机动 常值推力
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Relativistic Quantitative Determination of the “Mysterious” Differences in the Hubble Constant 被引量:1
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作者 Ernst Karl Kunst 《Natural Science》 2021年第1期1-7,共7页
This paper discusses the “Hubble constant measurement—mystery”. Independent measurements of this cosmic parameter, referred to as <i><span style="font-family:Verdana;">H</span></i>... This paper discusses the “Hubble constant measurement—mystery”. Independent measurements of this cosmic parameter, referred to as <i><span style="font-family:Verdana;">H</span></i><sub><span style="font-family:Verdana;">0</span></sub><span style="font-family:Verdana;"> in abbreviated form, have all led to different values, with the highest value ≈ 74 km<span style="font-family:Verdana, Helvetica, Arial;white-space:normal;background-color:#FFFFFF;">·</span>s</span><sup><span style="font-family:Verdana;">-1</span></sup><span style="font-family:Verdana;"><span style="font-family:Verdana, Helvetica, Arial;white-space:normal;background-color:#FFFFFF;">·</span>Mpc</span><sup><span style="font-family:Verdana;">-1</span></sup><span style="font-family:Verdana;"> and the lowest ≈ 67 km<span style="font-family:Verdana, Helvetica, Arial;white-space:normal;background-color:#FFFFFF;">·</span>s</span><sup><span style="font-family:Verdana;">-1</span></sup><span style="font-family:Verdana;"><span style="font-family:Verdana, Helvetica, Arial;white-space:normal;background-color:#FFFFFF;">·</span>Mpc</span><sup><span style="font-family:Verdana;">-1</span></sup><span style="font-family:Verdana;">, where km denotes kilometer, s second and Mpc</span><sup><span style="font-family:Verdana;">-1</span></sup><span style="font-family:Verdana;"> megaparsec. These measurements have mainly been obtained with space telescopes. Apparently, up to now there was no way to explain the differences. However, previously published studies seem to regard the problem of the different measurement results for </span><i><span style="font-family:Verdana;">H</span></i><sub><span style="font-family:Verdana;">0</span></sub><span style="font-family:Verdana;"> [</span><span style="font-family:Verdana;"><a href="#ref1">1</a>,</span><b><span style="font-family:Verdana;"> </span></b><span style="font-family:Verdana;"><a href="#ref2">2</a></span><span style="font-family:Verdana;">]. I have shown that due to a symmetrical expansion of the Minkowski space (SMS), each respective frame of reference for an observer, who rests in the zero point of the frame, is converted into a state of apparent rest relative to the cosmic microwave background (CMB) radiation. This SMS-relativistic effect also seems to be responsible for the different measurement results of the Hubble constant, especially through space telescopes.</span> 展开更多
关键词 Hubble constant Different Measurement Results Earthbound and Space-Telescopes Different orbits Different Hubble constants Symmetric Special Relativistic Origin
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MRCI+Q study of the low-lying electronic states of CdF including spin-orbit coupling
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作者 Shu-Tao Zhao Bing Yan +2 位作者 Rui Li Shan Wu Qiu-Ling Wang 《Chinese Physics B》 SCIE EI CAS CSCD 2017年第2期152-160,共9页
Cd F molecule, which plays an important role in a great variety of research fields, has long been subject to numerous researchers. Due to the unstable nature and heavy atom Cd containing in the Cd F molecule, electron... Cd F molecule, which plays an important role in a great variety of research fields, has long been subject to numerous researchers. Due to the unstable nature and heavy atom Cd containing in the Cd F molecule, electronic states of the molecule have not been well studied. In this paper, high accurate ab initio calculations on the Cd F molecule have been performed at the multi-reference configuration interaction level including Davidson correction(MRCI + Q). Adiabatic potential energy curves(PECs) of the 14 low-lying Λ–S states correlating with the two lowest dissociation limits Cd(~1S_g) + F(~2P_u) and Cd(~3P_u) + F(~2P_u) have been constructed. For the bound Λ–S and ? states, the dominant electronic configurations and spectroscopic constants are obtained,and the calculated spectroscopic constants of bound states are consistent with previous experimental results. The dipole moments(DMs) of 2 Σ+ and 2Π are determined, and the spin–orbit(SO) matrix elements between each pair of X2Σ+, 22Σ+, 12Π, and 22Π are obtained. The results indicate that the sudden changes of DMs and SO matrix elements arise from the variation of the electronic configurations around the avoided crossing region. Moreover,the Franck–Condon factors(FCFs), the transition dipole moments(TDMs), and radiative lifetimes of low-lying states-the ground state X2Σ+are determined. Finally, the transitional properties of 22Π–X2Σ+and 22Σ+–X2Σ+are studied. Based on our computed spectroscopic information of Cd F, the feasibility and challenge for laser cooling of Cd F molecule are discussed. 展开更多
关键词 CdF spin–orbit coupling effect potential energy curves spectroscopic constant
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Modified atomic orbital theory applied to the calculation of high-lying <sub>2</sub>(K,T)<sub>n</sub><sup>±1,3</sup>P°rydberg series of he-like ions
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作者 Ibrahima Sakho 《Natural Science》 2012年第1期73-78,共6页
The 2(1,0)n-1P°, 2(1,0)n +3P°, 2(0,1)n+1P°, and 2(0,1)n-3P° intershell Rydberg series of the helium-like ions are investigated in the framework of the modified Atomic Orbital Theory (MAOT). High-ly... The 2(1,0)n-1P°, 2(1,0)n +3P°, 2(0,1)n+1P°, and 2(0,1)n-3P° intershell Rydberg series of the helium-like ions are investigated in the framework of the modified Atomic Orbital Theory (MAOT). High-lying energy resonances of He and excitation energy of the he- lium-like Li+ up to n = 10 are tabulated. In addition, total energy positions for low-lying states (n1,3P° autoionizing states of two-electron systems. 展开更多
关键词 ATOMIC orbital Theory Screening constant SEMI-EMPIRICAL calculations autoionizing states Rydberg series helium-like IONS
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Spin-Orbit Electronic Structure of the ScBr Molecule
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作者 Alaa Hamdan Mahmoud Korek 《Journal of Modern Physics》 2011年第10期1172-1177,共6页
A theoretical investigation of the spin-orbit electronic states of the molecule ScBr has been performed via CASSCF and MRCI (single and double excitations with Davidson correction) calculations. Spin-orbit effects hav... A theoretical investigation of the spin-orbit electronic states of the molecule ScBr has been performed via CASSCF and MRCI (single and double excitations with Davidson correction) calculations. Spin-orbit effects have been introduced through semi-empirical spin orbit pseudo-potential for scandium while they have been neglected for bromine. Potential energy curves for 42 electronic states in the representation Ω(±) have been determined along with the corresponding spectroscopic constants. The comparison of the present results with those available in the literature shows a good agreement. New results have been investigated in present work for 30 electronic states in the representation Ω(±) for the first time. 展开更多
关键词 ScBr MOLECULE ab INITIO CALCULATION SPIN-orbit CALCULATION Potential Energy Curves Spectroscopic constantS
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旋轨耦合作用对BeH分子光谱特性的影响
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作者 李桂霞 孙晓婷 +1 位作者 徐丽萍 李鹏 《青岛农业大学学报(自然科学版)》 2023年第4期308-311,共4页
基于旋轨耦合作用(SOC)下多组态准简并微扰理论(MCQDPT),计算了BeH分子基态X^(2)∑^(+)和第一激发态A^(2)∏_(r)的分裂电子态的势能函数参数、力常数和光谱常数,并描绘了以上电子态的势能函数曲线。结果表明:旋轨耦合作用下X^(2)∑^(+)... 基于旋轨耦合作用(SOC)下多组态准简并微扰理论(MCQDPT),计算了BeH分子基态X^(2)∑^(+)和第一激发态A^(2)∏_(r)的分裂电子态的势能函数参数、力常数和光谱常数,并描绘了以上电子态的势能函数曲线。结果表明:旋轨耦合作用下X^(2)∑^(+)未发生分裂,A^(2)∏_(r)分裂为电子态^(2)∏_(1/2)和^(2)∏_(3/2);2个分裂电子态间的垂直跃迁能较大(76.7349 cm^(-1)),表明旋轨耦合作用对第一激发态影响显著;且计算出的2个分裂电子态的光谱常数精确度较高。 展开更多
关键词 旋轨耦合 势能函数曲线 光谱常数 分裂电子态
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星下点轨迹恒定的低轨星座构型设计方法
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作者 张雅声 贾璐 +1 位作者 于金龙 梁爽 《中国空间科学技术》 CSCD 北大核心 2023年第3期116-122,共7页
为探寻适用于低轨巨型星座的构型设计方法,提供了一种所有卫星共星下点轨迹,且该轨迹固定不变的低轨恒定轨迹星座构型解析设计方法。该构型用回归因子、卫星总数两个参数进行编码。首先,利用平均轨道根数思想,建立了地球非球形摄动带谐... 为探寻适用于低轨巨型星座的构型设计方法,提供了一种所有卫星共星下点轨迹,且该轨迹固定不变的低轨恒定轨迹星座构型解析设计方法。该构型用回归因子、卫星总数两个参数进行编码。首先,利用平均轨道根数思想,建立了地球非球形摄动带谐项阶数为J 4条件下的回归轨道设计解析模型。其次,根据卫星与地球相对运动规律,确立了满足共星下点轨迹条件的解析式。最后,结合回归轨道设计与共星下点轨迹设计思想,建立低轨恒定轨迹星座构型设计模型。最终仿真结果表明,该构型设计方法符合所有卫星共星下点轨迹、且轨迹固定不变的设计预期,验证了本构型设计方法的有效性。本星座构型具有形式简易、构型易维持、覆盖范围广的特点,确保了空间系统与地面系统的方位一致性,极大程度降低了星地系统协同的复杂度。 展开更多
关键词 低轨巨型星座 星座构型设计 回归轨道 共星下点轨迹 恒定轨迹
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The Quantization of Space
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作者 Uta Volkenborn Heinz Volkenborn 《Journal of High Energy Physics, Gravitation and Cosmology》 2023年第3期684-692,共9页
In the present work, it will be shown that the dimensionless number 137 of the fine-structure constant α demands a quantization of space. For this purpose, we refer to a volume constant of electromagnetic processes, ... In the present work, it will be shown that the dimensionless number 137 of the fine-structure constant α demands a quantization of space. For this purpose, we refer to a volume constant of electromagnetic processes, which takes effect as a volume quantum. This involves not only a re-evaluation of the Dirac equation but also, and above all, a determination of Einstein’s velocity vector as the fundamental property of these processes. A prerequisite is the linking of the hydrogen spectrum with the hydrogen nucleus. 展开更多
关键词 Hydrogen Spectrum Dirac Equation Einstein’s Velocity Vector Newton’s Law of Universal Gravitation Planck-constant Spin-orbit Coupling
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空间飞行器连续径向推力机动轨道研究 被引量:4
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作者 周姜滨 袁建平 罗建军 《宇航学报》 EI CAS CSCD 北大核心 2009年第1期67-71,共5页
在二体假设下对空间飞行器在径向推力作用下的机动轨道进行了研究。首先,在惯性坐标系中建立了空间飞行器在径向推力作用下的动力学方程,探讨了径向推力机动轨道的动量矩矢量和能量特性;然后推出了空间飞行器在径向推力作用下的逃逸条件... 在二体假设下对空间飞行器在径向推力作用下的机动轨道进行了研究。首先,在惯性坐标系中建立了空间飞行器在径向推力作用下的动力学方程,探讨了径向推力机动轨道的动量矩矢量和能量特性;然后推出了空间飞行器在径向推力作用下的逃逸条件,探讨了在圆轨道上运行的空间飞行器在连续常值径向推力作用下的三类机动轨道的特性,并给出了相应的算例及仿真计算结果;最后,研究了连续常值径向推力圆轨道,得出了空间飞行器在连续常值径向推力作用下沿圆轨道运行的条件,并与对应的等半径开普勒圆轨道和等角速度(等周期)开普勒圆轨道进行了比较。 展开更多
关键词 非开普勒轨道 机动轨道 连续常值径向推力圆轨道
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常值推力下面内轨道优化的一种改进间接法 被引量:4
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作者 赵国伟 李德金 +1 位作者 宋婷 武海雷 《北京航空航天大学学报》 EI CAS CSCD 北大核心 2017年第5期894-901,共8页
针对常值推力下航天器面内轨道转移燃耗最省的轨道优化问题,利用极大值原理导出了最优轨迹下推力方向角应满足的控制方程,结合动力学方程建立了一种求解航天器面内最优转移轨道的改进间接法,及其在推力方向角调节能力受限条件下的应用... 针对常值推力下航天器面内轨道转移燃耗最省的轨道优化问题,利用极大值原理导出了最优轨迹下推力方向角应满足的控制方程,结合动力学方程建立了一种求解航天器面内最优转移轨道的改进间接法,及其在推力方向角调节能力受限条件下的应用方法。由于避免了协态变量微分方程组的求解,改进间接法相对于传统间接法降低了初值猜测的难度和计算量;与采用Gauss伪谱法求解相比,所建立的改进间接法求解结果精度更高,数值光滑性更好。仿真算例表明:推力方向角调节能力受限会改善推力方向角变化规律,降低推力方向角变化范围;就燃耗而言,推力越大燃耗越多,优化轨道节省燃耗更加显著。 展开更多
关键词 轨道转移 最优控制 常值推力 极大值原理 共面轨道
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追踪椭圆轨道目标Hill制导及其误差分析 被引量:4
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作者 张刚 周荻 《宇航学报》 EI CAS CSCD 北大核心 2009年第4期1376-1384,共9页
针对椭圆轨道目标的飞行器近距离交会问题,研究了追踪任意椭圆轨道目标的Hill制导方法。从状态转移矩阵出发推导出追踪椭圆轨道目标的Hill制导表达式,然后推导出连续常值推力作用下系统状态的解析表达式,在此基础上分析了Hill制导过程... 针对椭圆轨道目标的飞行器近距离交会问题,研究了追踪任意椭圆轨道目标的Hill制导方法。从状态转移矩阵出发推导出追踪椭圆轨道目标的Hill制导表达式,然后推导出连续常值推力作用下系统状态的解析表达式,在此基础上分析了Hill制导过程中线性化误差和J2摄动误差,通过误差项进行补偿,并给出了Hill制导改进算法。仿真分析表明椭圆轨道Hill制导是可行的,且其改进算法能进一步提高制导精度。 展开更多
关键词 椭圆轨道 Hill制导 连续常值推力 J2摄动
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区间上单峰扩张自映射周期轨道的超旋转对 被引量:3
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作者 孙太祥 安霞 赵斌 《数学年刊(A辑)》 CSCD 北大核心 2005年第3期385-390,共6页
设f是区间I=[0,1]上的单峰扩张自映射, k ∈N,m≥2,λm,k是方程x(k-1)m(xm- 1)Q(x,m+1)+(x(k-1)m-1)Q(x,m)=0在(1,+∞)上的唯一实根,其中Q(x,m)=(xm- 2xm-1+1).本文证明:若f的扩张常数λ≥λm,k,则f有超旋转对为(k,km+1)的周期轨道. 此... 设f是区间I=[0,1]上的单峰扩张自映射, k ∈N,m≥2,λm,k是方程x(k-1)m(xm- 1)Q(x,m+1)+(x(k-1)m-1)Q(x,m)=0在(1,+∞)上的唯一实根,其中Q(x,m)=(xm- 2xm-1+1).本文证明:若f的扩张常数λ≥λm,k,则f有超旋转对为(k,km+1)的周期轨道. 此外,还指出,当1<λ<λm,k时,在区间上存在单峰扩张自映射具有扩张常数λ却无超旋转对为(k,km+1)的周期轨道. 展开更多
关键词 单峰扩张自映射 超旋转对 扩张常数 周期轨道
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直接键连原子间的NMR偶合常数的自然杂化轨道研究V.^(13)C-^(13)C和^(13)C-^(31)P核自旋偶合常数~1J_(CC)和~1J_(CP) 被引量:8
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作者 万坚 湛昌国 《波谱学杂志》 CAS CSCD 北大核心 1998年第1期45-55,共11页
在前文工作的基础上,结合MNDO/EHMO分子轨道方法和自然杂化轨道方法,具体计算了CC键和CP键的核自旋偶合常数.计算结果表明,1JCC和1JCP主要由成键原子的轨道杂化作用和键极性这两种结构因素所决定.为从简... 在前文工作的基础上,结合MNDO/EHMO分子轨道方法和自然杂化轨道方法,具体计算了CC键和CP键的核自旋偶合常数.计算结果表明,1JCC和1JCP主要由成键原子的轨道杂化作用和键极性这两种结构因素所决定.为从简单价键理论角度解释和计算1JCC和1JCP值提供了简便直观的方法. 展开更多
关键词 核自旋 自旋偶合 轨道成份 原子 键连
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自由基-分子加成反应活性的前线轨道理论研究 被引量:1
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作者 王贵昌 杨莹琴 +2 位作者 潘荫明 蔡遵生 赵学庄 《南开大学学报(自然科学版)》 CAS CSCD 北大核心 1999年第2期6-9,共4页
对于自由基分子加成反应,提出了利用不饱和烃的第一电离势与自由基基团的电子亲合能同反应速率常数(取对数形式)进行并联的估算方法;此外,根据前线轨道理论的基本假设,采用不饱和烃分子的最高占据轨道能量及自由基基团的最低空轨... 对于自由基分子加成反应,提出了利用不饱和烃的第一电离势与自由基基团的电子亲合能同反应速率常数(取对数形式)进行并联的估算方法;此外,根据前线轨道理论的基本假设,采用不饱和烃分子的最高占据轨道能量及自由基基团的最低空轨道能量同反应速率常数(取对数形式)进行关联。 展开更多
关键词 加成反应 速率常数 前线轨道 活性 自由基
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SiH^(+)(X^(1)∑^(+))的势能曲线、光谱常数、振转能级和自旋-轨道耦合理论研究 被引量:2
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作者 高峰 张红 +2 位作者 张常哲 赵文丽 孟庆田 《物理学报》 SCIE EI CAS CSCD 北大核心 2021年第15期67-76,共10页
基于Molpro 2012程序包,应用包含Davidson修正的多参考组态相互作用方法,使用AVXZ和AVXdZ(X=T,Q,5,6)基组进行单点能从头算,然后采用Aguado-P aniagua函数进行拟合,得到了 SiH^(+)(X^(1)∑^(+))离子在不同基组、不同方法和是否考虑自旋... 基于Molpro 2012程序包,应用包含Davidson修正的多参考组态相互作用方法,使用AVXZ和AVXdZ(X=T,Q,5,6)基组进行单点能从头算,然后采用Aguado-P aniagua函数进行拟合,得到了 SiH^(+)(X^(1)∑^(+))离子在不同基组、不同方法和是否考虑自旋-轨道耦合(SOC)情况下的解析势能函数(APEFs).以APEFs为基础,计算了SiH^(+)(X^(1)∑^(+))离子的解离能De,平衡键长Re,振动频率ωe,光谱常数Be,αe和ωeχe,同时讨论了 SOC对该体系的影响.本文的计算结果与其他理论计算符合得较好,与实验数值也基本吻合.基于SOC-AV6dZ方法下的APEF,通过求解径向薛定谔方程,给出了SiH^(+)(X^(1)∑^(+))离子的前23个振动能级(j=0),并详细列出了每1个振动能级及其相应的经典拐点,每个振动态的转动常数和6个离心畸变常数,且提供了振动能级图.该工作对于实验和后续的理论工作有参考和指导作用. 展开更多
关键词 SiH+(X1S+) 离子 势能曲线 光谱常数 自旋-轨道耦合
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平方反比律有心力场中轨道问题的又一解法 被引量:2
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作者 郭雅洁 桑芝芳 《大学物理》 北大核心 2015年第1期16-18,共3页
讨论了库仑平方反比力作用下点电荷运动轨迹方程的又一解法,这一解法和比耐方程法、Rung-Lenz矢量法相比推导更简洁.
关键词 库仑力 轨迹方程 常矢量 积分
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