Orbital Optimization in the Active Space Decomposition Model

We report the derivation and implementation of orbital optimization algorithms for the active space decomposition (ASD) model, which are extensions of complete active space self-consistent field (CASSCF) and its occupation-restricted variants in the conventional multiconfiguration electronic-structure theory. Orbital rotations between active subspaces are included in the optimization, which allows us to unambiguously partition the active space into subspaces, enabling application of ASD to electron and exciton dynamics in covalently linked chromophores. One- and two-particle reduced density matrices, which are required for evaluation of orbital gradient and approximate Hessian elements, are computed from the intermediate tensors in the ASD energy evaluation. Numerical results on 4-(2-naphthylmethyl)-benzaldehyde and [3$_6$]cyclophane and model Hamiltonian analyses of triplet energy transfer processes in the Closs systems are presented. Furthermore model Hamiltonians for hole and electron transfer processes in anti-[2.2](1,4)pentacenophane are studied using an occupation-restricted variant

Properties of Scalar-Quark Systems in SU(3)c Lattice QCD

We perform the first study for the bound states of colored scalar particles $\phi$ ("scalar quarks") in terms of mass generation with quenched SU(3)$_c$ lattice QCD. We investigate the bound states of $\phi$, $\phi^\dagger\phi$ and $\phi\phi\phi$ ("scalar-quark hadrons"), as well as the bound states of $\phi$ and quarks $\psi$, i.e., $\phi^\dagger\psi$, $\psi\psi\phi$ and $\phi\phi\psi$ ("chimera hadrons"). All these new-type hadrons including $\phi$ have a large mass of several GeV due to large quantum corrections by gluons, even for zero bare scalar-quark mass $m_\phi=0$ at $a^{-1}\sim 1{\rm GeV}$. We find a similar $m_\psi$-dependence between $\phi^\dagger\psi$ and $\phi\phi\psi$, which indicates their similar structure due to the large mass of $\phi$. From this study, we conjecture that all colored particles generally acquire a large effective mass due to dressed gluons

Scalar Nonets in Pole-Dominated QCD Sum Rules

The light scalar nonets are studied using the QCD sum rules for the tetraquark operators. The operator product expansion for the correlators is calculated up to dimension 12 and this enables us to perform analyses retaining sufficient pole-dominance. To classify the light scalar nonets, we investigate the dependence on current quark mass and flavor dynamics. Especially, to examine the latter, we study separately SU(3) singlet and octet states, and show that the number of annihilation diagrams is largely responsible for their differences, which is also the case even after the inclusion of the finite quark mass. Our results support the tetraquark picture for isosinglets, while that for octets is not conclusive yet.Comment: 4 pages, 3 figure, Talk given at Chiral Symmetry in Hadron and Nuclear Physics (Chiral07), November 13-16, 2007, Osaka Univ., Japa

Accurate retrieval of structural information from laser-induced photoelectron and high-harmonic spectra by few-cycle laser pulses

By analyzing ``exact'' theoretical results from solving the time-dependent Schr\"odinger equation of atoms in few-cycle laser pulses, we established the general conclusion that differential elastic scattering and photo-recombination cross sections of the target ion with {\em free} electrons can be extracted accurately from laser-generated high-energy electron momentum spectra and high-order harmonic spectra, respectively. Since both electron scattering and photoionization (the inverse of photo-recombination) are the conventional means for interrogating the structure of atoms and molecules, this result shows that existing few-cycle infrared lasers can be implemented for ultrafast imaging of transient molecules with temporal resolution of a few femtoseconds.Comment: 4 pages, 4 figure

Low-lying Dirac eigenmodes and monopoles in 3+1D compact QED

We study the properties of low-lying Dirac modes in quenched compact QED at $\beta =1.01$, employing $12^3\times N_t$ ($N_t =4,6,8,10,12$) lattices and the overlap formalism for the fermion action. We pay attention to the spatial distributions of low-lying Dirac modes below and above the ``phase transition temperature'' $T_c$. Near-zero modes are found to have universal anti-correlations with monopole currents, and are found to lose their temporal structures above $T_c$ exhibiting stronger spatial localization properties. We also study the nearest-neighbor level spacing distribution of Dirac eigenvalues and find a Wigner-Poisson transition.Comment: 10 pages, 10 figures, 1 tabl

Bose-Fermi Pair Correlations in Attractively Interacting Bose-Fermi Atomic Mixtures

We study static properties of attractively interacting Bose-Fermi mixtures of uniform atomic gases at zero temperature. Using Green's function formalism we calculate boson-fermion scattering amplitude and fermion self-energy in the medium to lowest order of the hole line expansion. We study ground state energy and pressure as functions of the scattering length for a few values of the boson-fermion mass ratio $m_b/m_f$ and the number ratio $N_b/N_f$. We find that the attractive contribution to energy is greatly enhanced for small values of the mass ratio. We study the role of the Bose-Fermi pair correlations in the mixture by calculating the pole of the boson-fermion scattering amplitude in the medium. The pole shows a standard quasiparticle dispersion for a Bose-Fermi pair, for $m_b/m_f\geq 1$. For small values of the mass ratio, on the other hand, a Bose-Fermi pair with a finite center-of-mass momentum experiences a strong attraction, implying large medium effects. In addition, we also study the fermion dispersion relation. We find two dispersion branches with the possibility of the avoided crossings. This strongly depends on the number rario $N_b/N_f$.Comment: 14 pages, 27 figure

Covering the Fermi Surface with Patches of Quarkyonic Chiral Spirals

We argue that in cold, dense quark matter, in the limit of a large number of colors the ground state is unstable with respect to creation of a complicated Quarkyonic Chiral Spiral (QCS) state, in which both chiral and translational symmetries are spontaneously broken. The entire Fermi surface is covered with patches of QCSs, whose number increases as the quark density does. The low energy excitations are gapless, given by Wess-Zumino-Novikov-Witten model plus transverse kinetic terms localized about different patches.Comment: 18 pages, 3 figure

Gap Condition and Self-Dualized N=4{\cal N}=4 Super Yang-Mills Theory for ADE Gauge Group on K3

We try to determine the partition function of ${\cal N}=4$ super Yang-Mills theoy for ADE gauge group on K3 by self-dualizing our previous ADE partition function. The resulting partition function satisfies gap condition.Comment: 17 page