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most citedParallel Tempering Algorithm for Conformational Studies of Biological Molecules

1k citations

Showing 2004Show all

10 papers · 1 filter

cond-mat.str-el2004★ 30 cited

Specific Heat Study of an S=1/2 Alternating Heisenberg Chain System F_5PNN Under Magnetic Field

Y. Yoshida, N. Tateiwa, M. Mito +4

We have measured the specific heat of an S=1/2 antiferromagnetic alternating Heisenberg chain pentafulorophenyl nitronyl nitroxide under magnetic fields up to H>H_C2. This compound…

cond-mat.str-el2004★ 14 cited

Phase Transition in a One-Dimensional Extended Peierls-Hubbard Model with a Pulse of Oscillating Electric Field: III. Interference Caused by a Double Pulse

Kenji Yonemitsu

In order to study consequences of the differences between the ionic-to-neutral and neutral-to-ionic transitions in the one-dimensional extended Peierls-Hubbard model with alternati…

cond-mat.str-el2004★ 22 cited

Phase Transition in a One-Dimensional Extended Peierls-Hubbard Model with a Pulse of Oscillating Electric Field: II. Linear Behavior in Neutral-to-Ionic Transition

Kenji Yonemitsu

Dynamics of charge density and lattice displacements after the neutral phase is photoexcited is studied by solving the time-dependent Schrödinger equation for a one-dimensional ext…

cond-mat.str-el2004★ 20 cited

Phase Transition in a One-Dimensional Extended Peierls-Hubbard Model with a Pulse of Oscillating Electric Field: I. Threshold Behavior in Ionic-to-Neutral Transition

Kenji Yonemitsu

Photoinduced dynamics of charge density and lattice displacements is calculated by solving the time-dependent Schrödinger equation for a one-dimensional extended Peierls-Hubbard mo…

physics.chem-ph2004★ 3 cited

Core excitation in Ozone localized to one of two symmetry-equivalent chemical bonds - molecular alignment through vibronic coupling

K. Wiesner, A. Naves de Brito, S. L. Sorensen +2

Core excitation from terminal oxygen O in O is shown to be an excitation from a localized core orbital to a localized valence orbital. The valence orbital is localized to o…

cond-mat.str-el2004★ 5 cited

Change of Electronic Structure Induced by Magnetic Transitions in CeBi

Shin-ichi Kimura, Mitsuru Okuno, Hideaki Kitazawa +2

The temperature dependence of the electronic structure of CeBi arising from two types of antiferromagnetic transitions based on optical conductivity () was observed. The $σ(ω…

cond-mat.str-el2004★ 4 cited

Carrier-Induced Magnetic Circular Dichloism in the Magnetoresistive Pyrochlore Tl2Mn2O7

H. Okamura, T. Koretsune, S. Kimura +4

Infrared magnetic circular dichloism (MCD), or equivalently magneto-optical Kerr effect, has been measured on the Tl2Mn2O7 pyrochlore, which is well known for exhibiting a large ma…

nlin.CD2004★ 2 cited

Coarse-Grained Picture for Controlling Quantum Chaos

Toshiya Takami, Hiroshi Fujisaki, Takayuki Miyadera

We propose a coarse-grained picture to analyze control problems for quantum chaos systems. Using optimal control theory, we first show that almost perfect control is achieved for r…

cond-mat.str-el2004★ 25 cited

Frustration-induced eta inversion in the S=1/2 bond-alternating spin chain

Nobuya Maeshima, Kouichi Okunishi, Kiyomi Okamoto +1

We study the frustration-induced enhancement of the incommensurate correlation for a bond-alternating quantum spin chain in a magnetic field, which is associated with a quasi-one-d…

nlin.CD2004★ 2 cited

Coarse-Grained Picture for Controlling Complex Quantum Systems

Toshiya Takami, Hiroshi Fujisaki

We propose a coarse-grained picture to control ``complex'' quantum dynamics, i.e., multi-level-multi-level transition with a random interaction. Assuming that optimally controlled…