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.     

Effective Hamiltonian for striped and paired states at the half-filled Landau level

We study a pairing mechanism for the quantum Hall system using a mean field theory with a basis on the von Neumann lattice, on which the magnetic translations commute. In the Hartree–Fock–Bogoliubov approximation, we solve the gap equation for spin-polarized electrons at the half-filled Landau levels. We obtain an effective Hamiltonian which shows a continuous transition from the compressible striped state to the paired state. Furthermore, a crossover occurs in the pairing phase. The energy spectrum and energy gap of the quasiparticle in the paired state is calculated numerically at the half-filled second Landau level.     

一种基于迭代子空间直接求逆算法的高效子空间混合算法

发展一种基于迭代子空间直接求逆（DIIS）算法的可用于快速求解原子和分子Hartree-Fock方程的子空间混合算法。该算法利用不同大小的子空间的混合将更接近收敛的Fock矩阵的权重增大,混合后的Fock矩阵作为新的迭代起点能有效减少自洽场迭代（SCF）过程中的迭代次数。与DIIS算法进行对比,发现该算法优于两种不同子空间的DIIS算法,并有效减少了计算量。     

介观电子谐振腔量子能谱与能量的量子涨落

针对介观电子谐振腔模型,在由电荷算符本征态构成的新Fock空间中,假设系统具有变换的对称性,通过求解Hamilton算符的本征值方程,给出系统的量子能谱关系.在电荷算符的Fock态下计算能量的量子涨落,分析和研究电子谐振腔的量子能谱性质.结果表明:类似于电荷的量子性,能谱明显地呈现出离散性,其大小决定于谐振腔的电参量、形状因子及栅极所加偏压等因素;而能量的量子涨落却仅与电荷量子、Planck常数以及系统自感有关.     

The importance of the self-interaction correction for Jahn–Teller distortion of the zinc vacancy in ZnGeP2

A cluster model is used to investigate the zinc vacancy in zinc germanium diphosphide in unrestricted Hartree–Fock method and density functional theory (DFT) with the B3LYP functional. While DFT maintains the symmetry of the defect, Hartree–Fock method, which is self-interaction free, predicts a symmetry breaking with the defect electron localizing on a single P atom instead of being equally spread over the four neighboring P atoms. While this distortion does not yet agree with the experimental observation of a pairing of P atoms, it illustrates the importance of the self-interaction and the difficulty in identifying the true minimum energy configuration of point defects in semiconductors.     

On the Stability of the Relativistic Electron-Positron Field

We study the energy of relativistic electrons and positrons interacting through the second quantized Coulomb interaction and a self-generated magnetic field. As states we allow generalized Hartree-Fock states in the Fock space. Our main result is the assertion of positivity of the energy, if the atomic numbers and the fine structure constant are not too big. We also discuss the dependence of the result on the dressing of the electrons (choice of subspaces defining the electrons).     

Energy Spectrum Symmetry of Heisenberg Model in Fock Space

We extend the BCS paring model with equally spaced energy levels to a general one-dimensional spin-1/2 Heisenberg model The two well-known symmetries of the Heisenberg model, i.e. permutational and spin-inversion symmetries, no longer exist. However, when jointing these two operations together, we find a new symmetry of energy spectrum between its subspace n and subspace L - n of the Fock space. A rigorous proof is presented.     

Electronic dispersion anomalies in iron pnictide superconductors

Recently, experimental studies of the spin excitation spectrum revealed a strong temperature dependence in the normal state and a resonance feature in the superconducting state of several Fe-based superconductors. Based on these findings, we develop a model of electrons interacting with a temperature dependent magnetic excitation spectrum and apply it to angle resolved photoemission in Ba(1-x)K(x)Fe(2)As(2). We reproduce in quantitative agreement with experiment a renormalization of the quasiparticle dispersion both in the normal and the superconducting state, and the dependence of the quasiparticle linewidth on binding energy. We estimate the strength of the coupling between electronic and spin excitations. Our findings support a dominantly magnetic pairing mechanism.     

Time operator in QFT with Virasoro constraints

Time operator is studied on the basis of field quantization, where the difficulty stemming from Pauli?s theorem is circumvented by borrowing ideas from the covariant quantization of the bosonic string, i.e., one can remove the negative energy states by imposing Virasoro constraints. Applying the index theorem, one can show that in a different subspace of a Fock space, there is a different self-adjoint time operator. However, the self-adjoint time operator in the maximal subspace of the Fock space can also represent the self-adjoint time operator in the other subspaces, such that it can be taken as the single, universal time operator. Furthermore, a new insight on Pauli?s theorem is presented.     

Duality theorems in BRST cohomology

In classical mechanics, there is no duality theorem relating the BRST cohomologies at positive and negative ghost numbers since these generically fail to be isomorphic. It is shown in this paper, however, that a duality theorem for the BRST operator cohomology can be established in quantum mechanics. Furthermore, when the hermicity properties of the quantum BRST formalism—which are in general just formal—turn out to be actually well defined, this duality theorem also holds for the state cohomology, as a consequence of the non degenerate pairing between subspaces at positive and negative ghost numbers defined by the BRST scalar product. In the case of gauge systems quantized in the Schrödinger representation with compact gauge orbits, the duality theorem contains ordinary Poincaré duality for a compact manifold. In the Fock representation, the duality theorem sheds a new light on existing decoupling theorems. The comparison with the classical situation is also briefly discussed.     

超重核的基态性质

用Skyrme Hartree Fock+BCS方法计算了超重核的基态性质,讨论了结合能、α衰变、形变、壳结构和自发裂变等问题.计算得到的结合能较好地反映了实验测量值,α衰变能与实验值符合很好.发现基本上有两种类型的超重核形变:在270108核附近的β2≈0.2的长椭球形变和在298114核附近的近球形形变.单粒子能级分布计算表明:在质子Z=108和中子N=162存在变形壳,在质子Z=114和中子N=184存在球形壳.用得到的α衰变能和Viola Seaborg公式估算了α衰变半寿命,能合理地符合实验测量值. The ground state properties of superheavy nuclei are investigated using the Skyrme Hartree Fock model. The pairing correlation is treated by the BCS method with the pairing δ force. Binding energies, α decays, spontaneous fissions, shell structures and deformations are discussed. Our calculations reproduce experimential binding energies and α decay energies.It is found that superheavy nuclei can be grouped with two kinds of deformations: i) well deformed prolate shapes (β2≈0.2) around 270108...     

The effect of neutron-proton pairing correlations on the transfer of a neutron-proton pair

A theory of neutron-proton pairing interaction is developed considering bothJ=0T=1 andJ≠0T=0 correlations. The model of a singlej-shell is investigated explicitly forN=Z nuclei. Instead of solving the full HFB (Hartree Fock Bogoliubov) problem a variational method is used for determining the ground state energy and wavefunction. Our model shows that the best solutions contain either onlyT=0 or onlyT=1 correlations. A solution mixingT=0 andT=1 is energetically worse. It is estimated in PWBA (Plane Wave Born Approximation) that for ground state transitions at light nuclei in the transfer of a neutron-proton pair the cross section is enhanced up to a factor 3 by pairing correlations compared with shell model calculations.     

Superconductivity in ultrasmall metallic grains

We review recent experimental and theoretical work on superconductivity in ultrasmall metallic grains, i.e. grains sufficiently small that the conduction electron energy spectrum becomes discrete. The discrete excitation spectrum of an individual grain can be measured by the technique of single‐electron tunneling spectroscopy, and reveals parity effects indicative of pairing correlations in the grain. After introducing the discrete BCS model that has been used to model such grains, we review a phenomenological, grand‐canonical, variational BCS theory describing the paramagnetic breakdown of these pairing correlations with increasing magnetic field. We also review recent canonical theories that have been developed to describe how pairing correlations change during the crossover, with decreasing grain size, from the bulk limit to the limit of few electrons, and compare their results to those obtained using Richardson's exact solution of the discrete BCS model.     

Microscopic derivation of a complex heavy ion potential

The energy dependence of a complex heavy ion optical potential is derived in Brueckner Hartree Fock using a local density approximation and a selfconsistent single particle spectrum. The two ions are described by an antisymmetrized cluster model wavefunction. Both real and imaginary part are found to increase with energy. Results are given for the elastic scattering of ⁴⁰Ca+¹⁶O.     

Existence of Hartree–Fock excited states for atoms and molecules

For neutral and positively charged atoms and molecules, we prove the existence of infinitely many Hartree–Fock critical points below the first energy threshold (that is, the lowest energy of the same system with one electron removed). This is the equivalent, in Hartree–Fock theory, of the famous Zhislin–Sigalov theorem which states the existence of infinitely many eigenvalues below the bottom of the essential spectrum of the N-particle linear Schrödinger operator. Our result improves a theorem of Lions in 1987 who already constructed infinitely many Hartree–Fock critical points, but with much higher energy. Our main contribution is the proof that the Hartree–Fock functional satisfies the Palais–Smale property below the first energy threshold. We then use minimax methods in the N-particle space, instead of working in the one-particle space.     

Accurate calculation of the bound states of the quantum dipole problem in two dimensions

We present an accurate calculation of the energies of the bound states of the quantumdipole problemin two dimensions using a Rayleigh-Ritz approach. We obtain an upper bound for the energy of the ground state, which is by far the most precise in the literature for this problem. We also obtain an alternative estimate of the fundamental energy of the model performing an extrapolation of the results corresponding to different subspaces. Finally, our calculation of the energies of the first 500 states shows a perfect agreement with the expected asymptotic behavior.     

Pairing in 4-component fermion systems: The bulk limit of SU(4)-symmetric Hamiltonians

Fermion systems with more than two components can exhibit pairing condensates of a much more complex structure than the well-known single BCS condensate of spin-up and spin-down fermions. In the framework of the exactly solvable SO(8) Richardson-Gaudin (RG) model with SU(4)-symmetric Hamiltonians, we show that the BCS approximation remains valid in the thermodynamic limit of large systems for describing the ground-state energy and the canonical and quasiparticle excitation gaps. Correlations beyond BCS pairing give rise to a spectrum of collective excitations, but these do not affect the bulk energy and quasiparticle gaps.     

Continuum Field Approximation for the η Pairing Mechanism of a Hubbard Model Within the Framework of a Mean-Field Theory

A quantum field theory for the η pairing mechanism of a Hubbard model within the mean-field framework is presented in this letter. It is found that the energy spectrum has two separate branches, and the eigenfunction has a plane-wave type. This result differs from the discrete lattice case in momentum space.