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- Naoyuki Niitsu, Miyu Kikuchi, +6 authors Katsunori Nakai
- The Journal of chemical physics
- 2012

Impulsive Raman excitation of C(60) by single or double pulses of near-infrared wavelength λ = 1800 nm was investigated by using a time-dependent adiabatic state approach combined with the density functional theory method. We confirmed that the vibrational energy stored in a Raman active mode of C(60) is maximized when T(p) ~ T(vib)/2 in the case of a… (More)

- Chun-Biu Li, Akira Shoujiguchi, Mikito Toda, Tamiki Komatsuzaki
- Physical review letters
- 2006

No-return transition states (TSs) defined in multidimensional phase space, where recrossing trajectories through the commonly used "configuration" TS pass only once, robustly exist up to a moderately high-energy regime above the reaction threshold, even when nonlinear resonances among the bath degrees of freedom perpendicular to the reaction coordinate… (More)

- Hiroshi Teramoto, Mikito Toda, Tamiki Komatsuzaki
- Physical review letters
- 2011

Questions of how the nature of a reaction coordinate that dominates the reaction ceases to exist and whether some new features emerge as an increase of total energy of systems are investigated for many degrees of freedom Hamiltonian systems. As a model system, a hydrogen atom in crossed electric and magnetic fields is scrutinized. It is shown that, when the… (More)

- Yasuhiro Matsunaga, Akinori Baba, +4 authors R. Stephen Berry
- The Journal of chemical physics
- 2013

A method for time series analysis of molecular dynamics simulation of a protein is presented. In this approach, wavelet analysis and principal component analysis are combined to decompose the spatio-temporal protein dynamics into contributions from a hierarchy of different time and space scales. Unlike the conventional Fourier-based approaches, the… (More)

- Chun-Biu Li, Mikito Toda, Tamiki Komatsuzaki
- The Journal of chemical physics
- 2009

A new method is presented to study bifurcation of no-return transition states (TSs) at potential saddles for systems of many degrees of freedom (dof). The method enables us to investigate analytically when and how the no-return TS bifurcates. Our method reveals a new aspect of bifurcation for systems of many dof, i.e., the action variables of the bath dof… (More)

- Hiroshi Teramoto, Mikito Toda, Masahiko Takahashi, Hirohiko Kono, Tamiki Komatsuzaki
- Physical review letters
- 2015

We present a mechanism of global reaction coordinate switching, namely, a phenomenon in which the reaction coordinate dynamically switches to another coordinate as the total energy of the system increases. The mechanism is based on global changes in the underlying phase space geometry caused by a switching of dominant unstable modes from the original… (More)

- Chun-Biu Li, Yasuhiro Matsunaga, Mikito Toda, Tamiki Komatsuzaki
- The Journal of chemical physics
- 2005

By using the HCN/CNH isomerization reaction as an illustrative vehicle of chemical reactions on multisaddle energy landscapes, we give explicit visualizations of molecular motions associated with a straight-through reaction tube in the phase space inside which all reactive trajectories pass from one basin to another, with eliminating recrossing trajectories… (More)

- Hiroto Kubotani, Satoshi Adachi, Mikito Toda
- Physical review letters
- 2008

The exact formula of the one-level distribution of the Schmidt eigenvalues is obtained for dynamical formation of entanglement in quantum chaos. The formula is based on the random matrix theory of the fixed-trace ensemble, and is derived using the theory of the holonomic system of differential equations. We confirm that the formula describes the… (More)

At the dawn of the quantum mechanics, entangled states of spatially separated bi-particle systems triggered fierce discussions because of their paradoxical property [1]. These discussions lead to the finding of the inequalities which measure how quantum systems deviate from the classical reality [2]. Recently, a renewed interest has been paid to… (More)

- Haruka Adachi, Mikito Toda
- DMBD
- 2017