Arbitrary Choice of Basic Variables in Density Functional Theory. I. Formalism

The Hohenberg-Kohn theorem of the density functional theory is extended by modifying the Levy constrained-search formulation. The new theorem allows us to choose arbitrary physical quantities as the basic variables which determine the ground-state properties of the system. Moreover, the theorem establishes a minimum principle with respect to variations in the chosen basic variables as well as with respect to variations in the density. By using this theorem, the self-consistent single-particle equations are derived. N single-particle orbitals introduced reproduce the basic variables. The validity of the theory is confirmed by the examples where the spin-density or paramagnetic current-density is chosen as one of the basic variables. The resulting single-particle equations coincide with the Kohn-Sham equations of the spin-density functional theory (SDFT) or current-density functional theory (CDFT), respectively. By choosing basic variables appropriate to the system, the present theory can describe the ground-state properties more efficiently than the conventional DFT.Comment: 23 pages, 1 figure, Changed conten

Density functional scheme for calculating the pair density

The density functional scheme for calculating the pair density is presented by means of the constrained-search technique. The resultant single-particle equation takes the form of the modified Hartree-Fock equation which contains the kinetic contribution of the exchange-correlation energy functional as the correlation potential. The practical form of the kinetic contribution is also proposed with the aid of the scaling relations of the kinetic energy functionals.Comment: 5 page

Sum rules for the exchange-correlation energy functional of the extended constrained-search theory: Application to checking the validity of the vorticity expansion approximation of the current-density functional theory

We present four kinds of sum rules for the exchange-correlation energy functional of the extended constrained-search theory. They are applicable even to the conventional density functional theory. As an application of these sum rules, we utilize them to check the validity of the vorticity expansion approximation (VEA) of the current-density functional theory (CDFT). The VEA formula fulfils three of them, though the local density approximation formula of the CDFT fulfills only one. The validity of the VEA formula is thus confirmed successfully from the viewpoint of the sum rules.ArticlePHYSICAL REVIEW A. 81(4):042505 (2010)journal articl

Symmetrical and asymmetrical separations about a yawed cone

Three dimensional flow separations about a circular cone were investigated in the Mach number range 0.6 - 1.8. The cone was tested in the Ames 1.8 by 1.8 m wind tunnel at Reynolds numbers based on the cone length from 4,500,000 to 13,500,000 under nominally zero heat transfer conditions. Results indicate that: (1) the lee-side separated flow develops from initially symmetrically disposed and near-conical separation lines at angle of incidence/cone semiangle equal to approximately 1, with the free shear layers eventually rolling up into tightly coiled vortices at all Mach numbers; (2) the onset of asymmetry of the lee-side separated flow about the mean pitch plane is sensitive to Mach number, Reynolds number, and the nose bluntness; and (3) as the Mach number is increased beyond 1.8, the critical angle of incidence for the onset of asymmetry increases until at about M = 2.75 there is no longer any significant side force development

Scheme for calculating the orbital-dependent exchange-correlation potential using the virial theorem: Application to atomic systems

We present a density-functional scheme for calculating the orbital-dependent exchange-correlation potential using the virial theorem as a sum rule. In order to check the validity of this scheme, atomic-structure calculations only with the exchange potential are performed. The accuracy of this scheme is shown to be comparable to that of the optimized effective potential (OEP) method, while the computational workload is extremely reduced compared to the OEP method.ArticlePHYSICAL REVIEW A. 78(1):012501 (2008)journal articl

A Single-Stage LED Driver Based on ZCDS Class-E Current-Driven Rectifier as a PFC for Street-Lighting Applications

This paper presents a light-emitting diode (LED) driver for street-lighting applications that uses a resonant rectifier as a power-factor corrector (PFC). The PFC semistage is based on a zero-current and zero-derivative-switching (ZCDS) Class-E current-driven rectifier, and the LED driver semistage is based on a zero-voltage-switching (ZVS) Class-D LLC resonant converter that is integrated into a single-stage topology. To increase the conduction angle of the bridge-rectifier diodes current and to decrease the current harmonics that are injected in the utility line, the ZCDS Class-E rectifier is placed between the bridge-rectifier and a dc-link capacitor. The ZCDS Class-E rectifieris driven by a high-frequency current source, which is obtained from a square-wave output voltage of the ZVS Class-D LLC resonant converter using a matching network. Additionally, the proposed converter has a soft-switching characteristic that reduces switching losses and switching noise. A prototype for a 150-W LED street light has been developed and tested to evaluate the performance of the proposed approach. The proposed LED driver had a high efficiency (>91%), a high PF (>0.99), and a low total harmonic distortion (THD i <; 8%) under variation of the utility-line input voltage from 180 to 250 V rms . These experimental results demonstrate the feasibility of the proposed LED scheme

Loop Model with Generalized Fugacity in Three Dimensions

A statistical model of loops on the three-dimensional lattice is proposed and is investigated. It is O(n)-type but has loop fugacity that depends on global three-dimensional shapes of loops in a particular fashion. It is shown that, despite this non-locality and the dimensionality, a layer-to-layer transfer matrix can be constructed as a product of local vertex weights for infinitely many points in the parameter space. Using this transfer matrix, the site entropy is estimated numerically in the fully packed limit.Comment: 16pages, 4 eps figures, (v2) typos and Table 3 corrected. Refs added, (v3) an error in an explanation of fig.2 corrected. Refs added. (v4) Changes in the presentatio

Vsop2/Astro-G Project

We introduce a new space VLBI project, the Second VLBI Space Observatory Program (VSOP2), following the success of the VLBI Space Observatory Program (VSOP1). VSOP2 has 10 times higher angular resolution, up to about 40 micro arcseconds, 10 times higher frequency up to 43 GHz, and 10 times higher sensitivity compared to VSOP1. Then VSOP2 should become a most powerful tool to observe innermost regions of AGN and astronomical masers. ASTRO-G is a spacecraft for VSOP2 project constructing in ISAS/JAXA since July 2007. ASTRO-G will be launched by JAXA H-IIA rocket in fiscal year 2012. ASTRO-G and ground-based facilities are combined as VSOP2. To achieve the good observation performances, we must realize new technologies. They are large precision antenna, fast-position switching capability, new LNAs, and ultra wide-band down link, etc.. VSOP2 is a huge observation system involving ASTRO-G, ground radio telescopes, tracking stations, and correlators, one institute can not prepare a whole system of VSOP2. Then we must need close international collaboration to get sufficient quality of resultant maps and to give a sufficient quantity of observation time for astronomical community. We formed a new international council to provide guidance on scientific aspects related of VSOP2, currently called the VSOP2 International Science Council (VISC2).Comment: 10 pages, 9 figures, proceedings of The Universe under the Microscope Astrophysics at High Angular Resolutio