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Wavefunction and energy of the 1s^2 2sns configuration in a beryllium atom 认领 引用 被引量：3
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作者 黄时中 马堃 +1 位作者 于加明 刘芬 《Chinese Physics B》 SCIE EI CAS 2008年第11期4175-4179,共5页
A new set of trial functions for 1s^22sns configurations in a beryllium atom is suggested. A Mathematica program based on the variational method is developed to calculate the wavefunctions and energies of 1s^22sns （n... A new set of trial functions for 1s^22sns configurations in a beryllium atom is suggested. A Mathematica program based on the variational method is developed to calculate the wavefunctions and energies of 1s^22sns （n = 3 - 6） configurations in a beryllium atom. Non-relativistic energy, polarization correction and relativistic correction which include mass correction, one- and two-body Darwin corrections, spin-spin contact interaction and orbit-orbit interaction, are calculated respectively. The results are in good agreement with experimental data. 展开更多
关键词 beryllium atom wavefunction energy
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WAVEFUNCTIONS OF L-S COUPLING FERMION SYSTEM(Ⅰ): SINGLE-l 认领 引用
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作者 羊亚平 《Acta Mathematica Scientia》 SCIE 1999年第1期1-6,共6页
In this paper. it is discussed how to constrnct wavefunctions of L-S couplingfermion system, which are classified by group chain A recurrent formula of fractional parentage coefficients with fixedseniority is also given.
关键词 Wavefunction group chain fractional parentage coefficient
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WAVEFUNCTIONS OF L-S COUPLING FERMION SYSTEM (Ⅱ):DOUBLE■-l 认领 引用
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作者 羊亚平 《Acta Mathematica Scientia》 SCIE 1999年第3期315-320,共6页
The wavefunctions of L-S coupling fermion system, which are classified by group chain U(4ι1 + 4ι2 + 4) Us(2)×(U L(2ι+ 2ι2 + 2) O(2ι1 + 2ι2 + 2) O(2ι+1) ×O(2ι2 + 1) O1 (3)×O2 (3) O(3)), are const... The wavefunctions of L-S coupling fermion system, which are classified by group chain U(4ι1 + 4ι2 + 4) Us(2)×(U L(2ι+ 2ι2 + 2) O(2ι1 + 2ι2 + 2) O(2ι+1) ×O(2ι2 + 1) O1 (3)×O2 (3) O(3)), are constructed through introducing generalized pairs coupled by fermions with different ι. With the help of the fractional parentage coefficients of single-ιfermion system, the author obtains the corresponding fractional parentage coefficients of double-ιfermion system. 展开更多
关键词 wavefunction group chain fractional parentage coefficient
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Wavefunctions for Particles with arbitrary Spin 认领 引用
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作者 HUANGShi－Zhong WUNing 《Communications in Theoretical Physics》 SCIE CAS 2002年第1期63-74,共12页
By solving rigorously the relativistic wave equations derived from Bargmann–Wigner equation for arbitrary spin, the relativistic wavefunctions in momentum representation for particles with arbitrary spin are deduced.
关键词 Bargmann-Wigner equation particles with arbitrary spin relativistic wavefunctions rigorous derivation
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Shannon Entropy as a Measurement of the Information in a Multiconfiguration Dirac-Fock Wavefunction 认领 引用
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作者 万建杰 《Chinese Physics Letters》 SCIE EI CAS CSCD 2015年第2期52-55,共4页
Discrete Shannon entropy is applied to describe the information in a multiconfiguration Dirac Fock wavefunction. The dependence of Shannon entropy is shown as enlarging the configuration space and it can reach saturat... Discrete Shannon entropy is applied to describe the information in a multiconfiguration Dirac Fock wavefunction. The dependence of Shannon entropy is shown as enlarging the configuration space and it can reach saturation when there are enough configuration state wavefunctions to obtain the convergent energy levels; that is, the calculation procedure in multiconfiguration Dirae Fock method is an entropy saturation process. At the same accuracy level, the basis sets for the smallest entropy are best able to describe the energy state. Additionally, a connection between the sudden change of Shannon information entropies and energy level crossings along with isoelectronic sequence can be set up, which is helpful to find the energy level crossings of interest in interpreting and foreseeing the inversion scheme of energy levels for an x-ray laser. 展开更多
关键词 Shannon Entropy as a Measurement of the Information in a Multiconfiguration Dirac-Fock Wavefunction
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One-Dimensional Scanning of Electronic Wavefunction in Carbon Nanotubes by Molecular Encapsulation 认领 引用
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作者 Gui Ye Jun Li +1 位作者 Ming-sen Deng Jun Jiang 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2015年第6期
关键词 Single-walled carbon nanotube Molecular container One-dimensional electron wavefunction distribution Density functional theory
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Digital holographic imaging via direct quantum wavefunction reconstruction 认领 引用
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作者 胡孟军 张永生 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第10期50-57,共8页
Wavefunction is a fundamental concept of quantum theory.Recent studies have shown surprisingly that wavefunction can be directly reconstructed via the measurement of weak value.The weak value based direct wavefunction... Wavefunction is a fundamental concept of quantum theory.Recent studies have shown surprisingly that wavefunction can be directly reconstructed via the measurement of weak value.The weak value based direct wavefunction reconstruction not only gives the operational meaning of wavefunction,but also provides the possibility of realizing holographic imaging with a totally new quantum approach.Here,we review the basic background knowledge of weak value based direct wavefunction reconstruction combined with recent experimental demonstrations.The main purpose of this work focuses on the idea of holographic imaging via direct wavefunction reconstruction.Since research on this topic is still in its early stage,we hope that this work can attract interest in the field of traditional holographic imaging.In addition,the wavefunction holographic imaging may find important applications in quantum information science. 展开更多
关键词 wavefunction reconstruction weak value hologram imaging
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Singulonics:narwhal-shaped wavefunctions for sub-diffraction-limited nanophotonics and imaging 认领 引用 被引量：1
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作者 Wen-Zhi Mao Hong-Yi Luan Ren-Min Ma 《eLight》 SCIE EI 2025年第1期305-319,共15页
The diffraction limit,rooted in the wave nature of light and formalized by the Heisenberg uncertainty principle,imposes a fundamental constraint on optical resolution and device miniaturization.The recent discovery of... The diffraction limit,rooted in the wave nature of light and formalized by the Heisenberg uncertainty principle,imposes a fundamental constraint on optical resolution and device miniaturization.The recent discovery of the singular dispersion equation in dielectric media provides a rigorous,lossless framework for overcoming this barrier.Here,we demonstrate that achieving such confinement necessarily involves a new class of optical eigenmodes—narwhalshaped wavefunctions—which emerge from the singular dispersion equation and uniquely combine global Gaussian decay with local power-law enhancement.These wavefunctions enable full-space field localization beyond conventional limits.Guided by this principle,we design and experimentally realize a three-dimensional sub-diffraction-limited cavity that supports narwhal-shaped wavefunctions,achieving an ultrasmall mode volume of 5×10-7λ3.We term this class of systems singulonic,and define the emerging field of singulonics as a new nanophotonic paradigm—establishing a platform for confining and manipulating light at deep-subwavelength scales without dissipation,enabled by the singular dispersion equation.Building on this extreme confinement,we introduce singular field microscopy:a near-field imaging technique that employs singulonic eigenmodes as intrinsically localized,background-free light sources.This enables optical imaging at a spatial resolution ofλ/1000,making atomic-scale optical microscopy possible.Our findings open new frontiers for unprecedented control over light–matter interactions at the smallest possible scales. 展开更多
关键词 Singular dispersion equation Narwhal shaped wavefunction Singulonics Singulonic nanocavity Singularity Singular field microscopy Twisted lattice nanocavity Power law enhancement
Accurate and convergent energetics of color centers by wavefunction theory 认领 引用
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作者 Zsolt Benedek Ádám Ganyecz +2 位作者 Anton Pershin Viktor Ivády Gergely Barcza 《npj Computational Materials》 SCIE EI CSCD 2025年第1期3799-3812,共14页
The accurate description of in-gap states of point defects in semiconductors with significant multideterminant character presents a long-standing challenge for density functional theory(DFT)methods.In this study,we de... The accurate description of in-gap states of point defects in semiconductors with significant multideterminant character presents a long-standing challenge for density functional theory(DFT)methods.In this study,we devise an ab initio methodology based on wavefunction theory(WFT)as a competing alternative approach.Specifically,we apply perturbation theory(NEVPT2)on top of a defect-localized many-body wavefunction(CASSCF).This quantum chemistry methodology,exemplified for the NV−center in diamond,is not only used for the calculation of energies and properties,but also for state-specific geometry optimization.By relaxing cluster models of increasing size and investigating convergence behavior,we accurately computed(i)the energy levels of NV−electronic states involved in the polarization cycle,(ii)the effect of Jahn-Teller distortion onmeasurable properties,(iii)the fine structure of ground and excited states,and(iv)the pressure dependence of zero-phonon lines.In addition,we predict hitherto uncharacterized high-lying excited states. 展开更多
关键词 CASCI color centers quantum chemistry methodologyexemplified perturbation theory nevpt wavefunction theory wft wavefunction theory NEVPT ab initio methodology
From Berry Curvature to Quantum Metric:a New Era of Quantum Geometry Metrology for Bloch Electrons in Solids 认领 引用
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作者 Bohm-Jung Yang 《Chinese Physics Letters》 SCIE EI CAS CSCD 2026年第2期228-231,共4页
The geometric structure of Bloch wavefunctions has emerged as a unifying principle in modern condensed matter physics.[1–5]Beyond energy dispersions,the internal geometry of electronic states in momentum space govern... The geometric structure of Bloch wavefunctions has emerged as a unifying principle in modern condensed matter physics.[1–5]Beyond energy dispersions,the internal geometry of electronic states in momentum space governs a growing class of physical phenomena,ranging from topological transport[6]to geometric superconductivity,[7–11]anomalous Landau levels,[12–15]and nonlinear responses.[16–19]This geometry is compactly encoded in the quantum geometric tensor(QGT),whose imaginary part gives the Berry curvature and whose real part defines the quantum metric,a measure of the distance between neighboring quantum states in momentum space.While Berry curvature has become experimentally tangible over the past decade,[20–23]the quantum metric has long remained elusive in real solids.Two recent breakthroughs[24,25]now decisively change this situation,demonstrating that quantum geometry can be directly measured in crystalline materials rather than inferred indirectly. 展开更多
关键词 geometric structure bloch wavefunctions energy dispersionsthe geometric superconductivity anomalous landau levels berry curvature condensed matter physics beyond topological transport physical phenomenaranging nonlinear responses
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Comparison of electron transmittances and tunneling currents in an anisotropic TiN_x/HfO_2/SiO_2/p-Si(100) metal-oxide-semiconductor(MOS) capacitor calculated using exponential- and Airy-wavefunction approaches and a transfer matrix method 认领 引用 被引量：2
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作者 Fatimah A.Noor Mikrajuddin Abdullah +1 位作者 Sukirno Khairurrijal 《Journal of Semiconductors》 EI CAS 北大核心 2010年第12期28-32,共5页
Analytical expressions of electron transmittance and tunneling current in an anisotropic TiNx/HfO2/SiO2/p-Si（100） metal-oxide-semiconductor （MOS） capacitor were derived by considering the coupling of transverse an... Analytical expressions of electron transmittance and tunneling current in an anisotropic TiNx/HfO2/SiO2/p-Si（100） metal-oxide-semiconductor （MOS） capacitor were derived by considering the coupling of transverse and longitudinal energies of an electron. Exponential and Airy wavefunctions were utilized to obtain the electron transmittance and the electron tunneling current. A transfer matrix method, as a numerical approach, was used as a benchmark to assess the analytical approaches. It was found that there is a similarity in the transmittances calculated among exponential- and Airy-wavefimction approaches and the TMM at low electron energies. However, for high energies, only the transmit- tance calculated by using the Airy-wavefunction approach is the same as that evaluated by the TMM. It was also found that only the tunneling currents calculated by using the Airy-wavefunction approach are the same as those obtained under the TMM for all range of oxide voltages. Therefore, a better analytical description for the tunneling phenomenon in the MOS capacitor is given by the Airy-wavefunction approach. Moreover, the tunneling current density decreases as the titanium concentration of the TiNx metal gate increases because the electron effective mass of TiNx decreases with increasing nitrogen concentration. In addition, the mass anisotropy cannot be neglected because the tunneling currents obtained under the isotropic and anisotropic masses are very different. 展开更多
关键词 Airy wavefunction anisotropic MOS exponential wavefunction transfer matrix method transmittance tunneling current
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Mott physics, sign structure, ground state wavefunction, and high- Tc superconductivity 认领 引用
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作者 Zheng-Yu Weng 《Frontiers of physics》 SCIE CSCD 2011年第4期370-378,共9页
In this article I give a pedagogical illustration of why the essential problem of high-Tc superconductivity in the cuprates is about how an antiferromagnetically ordered state can be turned into a short-range state by... In this article I give a pedagogical illustration of why the essential problem of high-Tc superconductivity in the cuprates is about how an antiferromagnetically ordered state can be turned into a short-range state by doping. I will start with half-filling where the antiferromagnetic ground state is accurately described by the Liang Doucot-Anderson （LDA） wavefunction. Here the effect of the Fermi statistics becomes completely irrelevant due to the no double occupancy constraint. Upon doping, the statistical signs reemerge, albeit much reduced as compared to the original Fermi sta- tistical signs. By precisely incorporating this altered statistical sign structure at finite doping, the LDA ground state can be recast into a short-range antiferromagnetic state. Superconducting phase coherence arises after the spin correlations become short-ranged, and the superconducting phase transition is controlled by spin excitations. I will stress that the pseudogap phenomenon naturally emerges as a crossover between the antiferromagnetic and superconducting phases. As a characteristic of non Fermi liquid, the mutual statistical interaction between the spin and charge degrees of freedom will reach a maximum in a high-temperature ＂strange metal phase＂ of the doped Mott insulator. 展开更多
关键词 Mott physics high-Tc cuprates ground state wavefunction sign structure
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Strength of Intramolecular Hydrogen Bonds 认领 引用 被引量：1
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作者 JIANG Xiaoyu WU Wei MO Yirong 《物理化学学报》 SCIE CAS CSCD 北大核心 2018年第3期278-285,共8页
The concept of resonance-assisted hydrogen bonds(RAHBs)highlights the synergistic interplay between theπ-resonance and hydrogen bonding interactions.This concept has been well-accepted in academia and is widely used ... The concept of resonance-assisted hydrogen bonds(RAHBs)highlights the synergistic interplay between theπ-resonance and hydrogen bonding interactions.This concept has been well-accepted in academia and is widely used in practice.However,it has been argued that the seemingly enhanced intramolecular hydrogen bonding(IMHB)in unsaturated compounds may simply be a result of the constraints imposed by theσ-skeleton framework.Thus,it is crucial to estimate the strength of IMHBs.In this work,we used two approaches to probe the resonance effect and estimate the strength of the IMHBs in the two exemplary cases of the enol forms of acetylacetone and o-hydroxyacetophenone.One approach is the block-localized wavefunction(BLW)method,which is a variant of the ab initio valence bond(VB)theory.Using this approach,it is possible to derive the geometries and energetics with resonance shut down.The other approach is Edmiston’s truncated localized molecular orbital(TLMO)technique,which monitors the energy changes by removing the delocalization tails from localized molecular orbitals.The integrated BLW and TLMO studies confirmed that the hydrogen bonding in these two molecules is indeed enhanced byπ-resonance,and that this enhancement is not a result ofσconstraints. 展开更多
关键词 Resonance-assisted hydrogen bond Bond strength Valence bond Block-localized wavefunction Truncated localized molecular orbital
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Energy levels and states of parabolic cylindrical lens shaped quantum dots 认领 引用 被引量：1
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作者 侯春风) 姜永远 阿不都热苏力 《Chinese Physics B》 CAS 2005年第10期1932-1935,共4页
The parabolic cylindrical lens shaped quantum dot is investigated theoretically. The Schrǒdinger equation for an electron confined in this structure is solved in the parabolic cylindrical coordinate system. The wavef... The parabolic cylindrical lens shaped quantum dot is investigated theoretically. The Schrǒdinger equation for an electron confined in this structure is solved in the parabolic cylindrical coordinate system. The wavefunctions for the electron are presented in terms of confluent hypergeometric functions, and the electron energy spectra are also obtained. 展开更多
关键词 quantum dot artificial atom energy level wavefunction
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Magneto-optical properties of self-assembled InAs quantum dots for quantum information processing 认领 引用 被引量：1
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作者 唐静 许秀来 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第2期195-203,共9页
Semiconductor quantum dots have been intensively investigated because of their fundamental role in solid-state quan- tum information processing. The energy levels of quantum dots are quantized and can be tuned by exte... Semiconductor quantum dots have been intensively investigated because of their fundamental role in solid-state quan- tum information processing. The energy levels of quantum dots are quantized and can be tuned by external field such as optical, electric, and magnetic field. In this review, we focus on the development of magneto-optical properties of single InAs quantum dots embedded in GaAs matrix, including charge injection, relaxation, tunneling, wavefunction distribution, and coupling between different dimensional materials. Finally, the perspective of coherent manipulation of quantum state of single self-assembled quantum dots by photocurrent spectroscopy with an applied magnetic field is discussed. 展开更多
关键词 magneto-photoluminescence InAs quantum dots quantum bit wavefunction control diamag-netic effects
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Reconstructing the Potential Function in a Formulation of Quantum Mechanics Based on Orthogonal Polynomials 认领 引用 被引量：1
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作者 A.D.Alhaidari 《Communications in Theoretical Physics》 SCIE CAS CSCD 2017年第12期711-728,共18页
In a recent reformulation of quantum mechanics, the properties of the physical system are derived from orthogonal polynomials that make up the expansion coefficients of the wavefunction in a complete set of square int... In a recent reformulation of quantum mechanics, the properties of the physical system are derived from orthogonal polynomials that make up the expansion coefficients of the wavefunction in a complete set of square integrable basis. Here, we show how to reconstruct the potential function so that a correspondence with the standard formulation could be established. However, the correspondence places restriction on the kinematics of such problems. 展开更多
关键词 wavefunction potential function orthogonal polynomials recursion relation tridiagonal representations asymptotics
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The impact of vibrational wave function on low energy electron vibrational scattering from nitrogen molecule 认领 引用
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作者 付佳 冯灏 张燚 《Chinese Physics B》 SCIE EI CAS CSCD 2017年第8期162-167,共6页
The vibrational wave function of the target theoretically plays an important role in the calculation of vibrational excitation cross sections. By a careful study of the differential cross sections resulting from diffe... The vibrational wave function of the target theoretically plays an important role in the calculation of vibrational excitation cross sections. By a careful study of the differential cross sections resulting from different vibrational wave functions we find that cross sections are susceptible to vibrational wave functions. Minor changes in the vibration wave lhnction may cause a significant change in the cross section. Even more surprising is that by selecting a few numbers of potential models （which determine the vibrational wave functions） we can often calculate the differential scattering cross section in much closer agreement with experiment in the framework of body-frame vibrational close-coupling theory, which suggest that an accurate potential energy may play a more important role in scattering than we thought betbre. 展开更多
关键词 vibrational scattering vibrational wavefunction nitrogen molecule
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Separation of Variable Treatment for Solving Time—Dependent Potentials 认领 引用
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作者 QIANShang－Wu GUZhi－Yu 《Communications in Theoretical Physics》 SCIE CAS 2001年第2期149-150,共2页
We use the separation of variable treatment to treat some time-dependent systems, and point out that the condition of separability is the same as the condition of existence of invariant, and the separation of variable... We use the separation of variable treatment to treat some time-dependent systems, and point out that the condition of separability is the same as the condition of existence of invariant, and the separation of variable treatment is interrelated with the quantum-invariant method and the propagator method. We directly use the separation of variable treatment to obtain the wavefunctions of the time-dependent Coulomb potential and the time-dependent Hulthén potential. 展开更多
关键词 time-dependent system separation of variable treatment time-dependent Coulomb potential time-dependent Hulthen potential wavefunction
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Incoherent control of two classes of finite-level quantum systems 认领 引用
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作者 Chunin Chen Zhenquan Qin 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2011年第4期679-683,共5页
The incoherent control of finite-level quantum systems is investigated.Following a brief introduction to coherent control paradigms in quantum control,a control problem that can not be accomplished using only coherent... The incoherent control of finite-level quantum systems is investigated.Following a brief introduction to coherent control paradigms in quantum control,a control problem that can not be accomplished using only coherent control is presented.For such a control problem,it is proved that it can be accomplished using incoherent control based on projective measurement and coherent control for two classes of finite-level quantum systems,i.e.,eigenstate controllable quantum systems and wavefunction controllable quantum systems. 展开更多
关键词 quantum control eigenstate controllability wavefunction controllability coherent control incoherent control.
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Small Components of the Wave Function of Electron 认领 引用
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作者 王智勇 熊彩东 +1 位作者 邱为钢 周萍 《Journal of Electronic Science and Technology of China》 2006年第1期47-50,共4页
This paper shows that the moving or time-varying large components of four-component wavefunction of electron would induce small components, and vice versa. Then when a wave packet of electron is moving with high speed... This paper shows that the moving or time-varying large components of four-component wavefunction of electron would induce small components, and vice versa. Then when a wave packet of electron is moving with high speeds or varies rapidly, or its size is sufficiently small, or in the presence of a strong electromagnetic field, its small components and the related effects cannot be ignored. Furthermore, the spin quantum states of both a moving electron and a motionless electron can be affected by some special electrostatic fields. This may open a new pathway for spintronics to the manipulation of electron spins in the absence of applied magnetic fields. 展开更多
关键词 wavefunction spintronics electromagnetic field
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