相关论文: Symmetric Density Functionals

Because of the rotational invariance of the nuclear Hamiltonian, there exists a density functional for nuclei that depends only on two scalar densities. Practical calculations boil down to radial, one-dimensional ones.

The deprojection of axisymmetric density distributions is generally indeterminate to within the addition of certain axisymmetric distributions (konus densities) that are invisible in projection. The known class of konus densities is…

Wavelets are known to be closely related to atomic orbital. A new approach of 2D, 3D and multidimensional wavelet system is proposed from a paralell with anti-symmetric systems of several isolated particles. The theory of fermionic states…

Generation of Wigner functions of Landau levels and determination of their symmetries and generic properties are achieved in the autonomous framework of deformation quantization. Transformation properties of diagonal Wigner functions under…

A geometry-based density functional theory is presented for mixtures of hard spheres, hard needles and hard platelets; both the needles and the platelets are taken to be of vanishing thickness. Geometrical weight functions that are…

Periodic Geometry studies isometry invariants of periodic point sets that are also continuous under perturbations. The motivations come from periodic crystals whose structures are determined in a rigid form but any minimal cells can…

We introduce a systematically improvable family of variational wave functions for the simulation of strongly correlated fermionic systems. This family consists of Slater determinants in an augmented Hilbert space involving "hidden"…

We present a new density functional, which is the result of a natural evolution and improvement of previous density functional theories for liquid helium. We focus on the key ingredients of the theory, showing how they determine important…

Decoherence of massive body wave function under Continuous Spontaneous Localization is reconsidered. It is shown for homogeneous probes with wave functions narrow in position and angle that decoherence is a surface effect. Corresponding new…

If the augmented density of a spherical anisotropic system is assumed to be multiplicatively separable to functions of the potential and the radius, the radial function, which can be completely specified by the behavior of the anisotropy…

A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [H. Rydberg, et al., Phys. Rev. Lett. 91, 126402…

We show that Jastrow-Slater wave functions, in which a density-density Jastrow factor is applied onto an uncorrelated fermionic state, may possess long-range order even when all symmetries are preserved in the wave function. This fact is…

Orbital angular momentum eigenfunctions are readily understood in terms of spherical harmonic wavefunctions. However, the quantum mechanical phenomenon of spin is often said to be mysterious and hard to visualize, with no classical…

Symmetries of multi-anyon wavefunctions are analysed with the help of a second quantized formulation. Analogues of Slater determinants are constructed. It is shown that the Pauli principle is not enforced.

Spatial symmetries of the densities appearing in the nuclear Density Functional Theory are discussed. General forms of the local densities are derived by using methods of construction of isotropic tensor fields. The spherical and axial…

The structure function is a useful quantity to characterize wavefront distortions. We derive expressions for the structure functions of the averaged wavefront phase and slopes. The expressions are valid within the inertial range of…

The density of an atom in a state of well-defined angular momentum has a specific finite spherical harmonic content, without and with interactions. Approximate single-particle schemes, such as the Hartree, Hartree-Fock, and Local Density…

Over the years, several schemes have been proposed to describe multireference systems with Kohn-Sham Density Functional Theory. Problematic is the combination of two aspects: the Kohn-Sham reference wavefunction is usually taken to be a…

Relativistic dynamics with energy and momentum resricted to an anti-de-Sitter space is presented, specifically in the introduction of coordiate operators conjugate to such momenta. Definition of functions of these operators, their…

High accuracy helium wave functions based on exponentials with random coefficients are transformed into momentum space. The utility of the wave functions is demonstrated through calculation of the expectation value of various operators…