arXiv subjects

Kaoru Yamanouchi

Publications and source records attributed to Kaoru Yamanouchi.

9 recordsLinked to original sources

arXiv2026

Simulation of vibrational dynamics using qubits and qudits

We investigate the quantum computing of the vibrational dynamics of CO$_2$ and H$_2$O by constructing the vibrational third-order anharmonic Hamiltonian in qubit and qudit form by two types of qubit encodings (binary and direct) and a qudit encoding. We simulate the time-dependent vibrational population transfer using the three different encodings, including the effect of noise and find that the qudit encoding leads to the most accurate results both for CO$_2$ and H$_2$O because of the small number of terms in the qudit Hamiltonian as long as the same values of the entangling gate error rates are adopted. Although the entangling gate errors of current qudit quantum computers are approximately one order of magnitude larger than the entangling gate errors of current qubit quantum computers, our results suggest that the simulation of vibrational dynamics is a promising application for future qudit quantum computers.

quant-ph↗

arXiv2025

Comparison of encoding schemes for quantum computing of $S > 1/2$ spin chains

We compare four different encoding schemes for the quantum computing of spin chains with a spin quantum number $S>1/2$: a compact mapping, a direct (or one-hot) mapping, a Dicke mapping, and a qudit mapping. The three different qubit encoding schemes are assessed by conducting Hamiltonian simulation for $1/2 \le S \le 5/2$ using a trapped-ion quantum computer. The qudit mapping is tested by running simulations with a simple noise model. The Dicke mapping, in which the spin states are encoded as superpositions of multi-qubit states, is found to be the most efficient because of the small number of terms in the qubit Hamiltonian. We also investigate the $S$-dependence of the time step length $Δτ$ in the Suzuki-Trotter approximation and find that, in order to obtain the same accuracy for all $S$, $Δτ$ should be inversely proportional to $S$.

quant-ph↗

arXiv2025

Cancellation of phonon hopping in trapped ions by modulation of the trap potential

The local modes of trapped ions can be used to construct an analog quantum simulator and a digital quantum computer. However, the control of the phonon hopping remains difficult because it proceeds among all the local modes through the Coulomb coupling. We propose a method to cancel the phonon hopping among a given set of local modes by applying a sequence of phase shift gates implemented through the modulation of the trap potential. We analyze the error scaling in the algorithm to treat three or more modes and show that the error can be suppressed by repeating the pulse sequence. The duration of the phase shift gate in the present method can be as short as a few microseconds, which is an order of magnitude faster than the laser-based method. This short duration of the phase shift gate facilitates the suppression of the gate error. We finally show how the present method can be applied to the implementation of the beam splitter. The present method can also be applied to the simulation of bosonic systems as well as to the continuous variable encoding of quantum computing using trapped ions.

quant-ph↗

arXiv2024

Unveiling a crystal's entropy of disorder via electron diffraction. A statistical mechanics approach

Upon melting, the molecules in the crystal explore numerous configurations, reflecting an increase in disorder. The molar entropy of disorder can be defined by Bolzmann's formula dSd = Rln(Wd) where Wd is the increase in the number of microscopic states, so far inaccessible experimentally. We found that the Arrhenius frequency factor A of the electron diffraction signal decay provides Wd via an experimental equation A = AINTWd where AINT is an inelastic scattering cross-section. The method connects Clausius and Boltzmann experimentally and supplements the Clausius approach, being applicable to a femtogram quantity of thermally unstable and biomolecular crystals. The data also showed that crystal disordering and crystallization of melt are reciprocal, both governed by the entropy change, but manifesting in opposite directions.

physics.chem-ph↗

arXiv2022

Static-field ionization model of He-like ions for diagnostics of light field intensity

We study static-field ionization of He-like ions with nuclear charge number in the range of $2\le Z \le 36$. Both the tunneling and over-the-barrier regimes are considered. We calculate the ionization rates by three approximate methods: a fitting formula based on the Perelemov-Popov-Terent'ev (PPT) formula, a perturbative expansion in powers of $1/Z$, and a single-active electron approximation, and compare them with reference ionization rates computed by the multiconfiguration time-dependent Hartree-Fock (MCTDHF) approach. The relative deviation of the rates computed by the PPT-based fitting formula and the third-order perturbation theory from the rates computed by the MCTDHF approach is found to be around 10\%. We discuss quantitatively the contribution from the exchange interaction during the ionization by comparing the single-active electron rates and the reference rates in which multielectron effects are included. We find that a single-active electron approximation, where the exchange interaction is neglected, results in the overestimation of the ionization rates by 30\% for He and 2\% for He-like Kr, showing that the magnitude of the effect of the exchange interaction scales approximately as $1/Z$.

physics.atom-ph↗

arXiv2022

Ionization and electron excitation of fullerene molecules in a carbon nanotube. A variable temperature/voltage transmission electron microscopic study

There is increasing attention to chemical applications of transmission electron microscopy, which is often plagued by radiation damage. The damage in organic matter predominantly occurs via ionization (radiolysis). Although radiolysis is highly important, previous studies on radiolysis have largely been descriptive and qualitative, lacking in such fundamental information as the product structure, the influence of the energy of the electrons, and the reaction kinetics. We need a chemically well-defined system to obtain such data, and have chosen as a model a variable-temperature and variable-voltage (VT/VV) study of the dimerization of a van der Waals dimer [60]fullerene (C60) to C120 in a carbon nanotube (CNT) as studied for individual reaction events at atomic resolution. We report here the identification of five reaction pathways that serve as mechanistic models of radiolysis damage. Two of them occur via a radical cation of the specimen generated by specimen ionization, and three involve singlet or triplet excited states of the specimen, as initiated by electron excitation of the CNT followed by energy transfer to the specimen. The pathways were distinguished by the pre-exponential factor and the Arrhenius activation energy. The prototypal reaction path is the radical cation reaction that we saw at <200 K, but, at >350 K, the excited-state reactions dominate. The results illustrate the importance of VT/VV kinetic analysis in the studies of radiation damage, and show that chemical ionization and electron excitation are inseparable but different mechanisms of radiation damage, which has so far been classified loosely under the single term "ionization."

physics.chem-ph↗

arXiv2020

Generalized phase-sensitivity of directional bond-breaking in laser-molecule interaction

We establish a generalized picture of the phase-sensitivity of laser-induced directional bond-breaking using the H$_2$ molecule as the example. We show that the well-known proton ejection anisotropy measured with few-cycle pulses arises as an amplitude-modulation of an intrinsic anisotropy that is sensitive to the laser phase at the ionization time and determined by the molecule's electronic structure. Our work furthermore reveals a strong electron-proton correlation that may open up a new approach to experimentally accessing the laser-sub-cycle intramolecular electron dynamics also in large molecules.

physics.chem-ph↗

arXiv2016

Fragmentation of long-lived hydrocarbons after strong field ionization

We experimentally and theoretically investigated the deprotonation process on nanosecond to microsecond timescale in ethylene and acetylene molecules, following their double ionization by a strong femtosecond laser field. In our experiments we utilized coincidence detection with the reaction microscope technique, and found that both the lifetime of the long-lived ethylene dication leading to the delayed deprotonation and the relative channel strength of the delayed deprotonation compared to the prompt one have no evident dependence on the laser pulse duration and the laser peak intensity. Quantum chemical simulations suggest that such delayed fragmentation originates from the tunneling of near-dissociation-threshold vibrational states through a dissociation barrier on a dication electronic state along C--H stretching. Such vibrational states can be populated through strong field double ionization induced vibrational excitation on an electronically excited state in the case of ethylene, and through intersystem crossing from electronically excited states to the electronic ground state in the case of acetylene.

physics.chem-ph↗

arXiv2013

Reconstruction of a Rotational Wavepacket of Inverted Molecular Ions in an Intense Femtosecond Laser Field

We report on generation of a rotational wavepacket in the ground vibronic state (v = 0) of excited electronic B2Σu+ state of N2+ in a femtosecond laser induced plasma spark. Decoding of the rotational wavepacket is achieved with the frequency-resolved seed-amplified air laser spectrum resulting from the population inversion between the B2Σu+-X2Σg+ states of N2+ in the plasma. We also observe that the rotational wave-packet leads to modulation of the amplified seed signals in the time domain using a pump-probe scheme, which can be well reproduced by theoretical calculation. Our results demonstrate that the air laser provides an ideal probe for remote characterization of molecular rotational states distribution in a femtosecond laser induced filament.

physics.atom-ph↗