In classical information theory, the most important theorems are the cod-ing theorems, which were discussed by calculating the mean entropy and the mean mu-tual entropy defined by the classical dynamical entropy (Kolmogorov-Sinai). The quan-tum dynamical entropy was first studied by Emch [13] and Connes-Stormer [11]. Afterthat, several approaches for introducing the quantum dynamical entropy were proposed[10, 3, 8, 39, 15, 44, 9, 27, 28, 2, 19, 45]. The efficiency of information transmission for thequantum processes is investigated by using the von Neumann entropy [22] and the Ohyamutual entropy [24]. These entropies were extended to S-mixing entropy by Ohya [26, 27] ingeneral quantum systems. The mean entropy and the mean mutual entropy for the quantumdynamical systems were introduced based on the S-mixing entropy. In this paper, basedon research into the dynamical entropy and mean mutual entropy of quantum systems,this study investigates the characteristics of quantum channels that exhibit entanglement,a property unique to quantum systems, and investigates the behaviour of quantum entropyfor compound quantum channels by changing the perspective from information transmis-sion between input and output to a new perspective of information transmission from theinitial state to the final state.

This paper investigates shape resonances in the electron-impact ionization of CF4. To this end, scatteredelectron-fragment-ion coincidence experiments have been conducted for the molecule, employing an incident electron energy of 1.4 keV and a range of scattering angles from 2.2 degrees to 6.8 degrees. The ionization spectra of the C 2T2 (3t2)-1 and D 2A1 (4a1)-1 channels have been constructed from the scattered-electron-CF2+-ion coincidence signals obtained. A resonance band at electron energy loss of E 24 eV in the C 2T2 ionization channel is found to exhibit momentum-transfer dependence characteristic of a dipole-allowed transition and is attributed to the 3t2 -> epsilon t2 excitation. The spectra of the ionization to the D 2A1 state manifest a broad peak centered at E 27 eV, and its momentum-transfer dependence indicates that this newly identified band arises from a transition to a dipole-forbidden resonance level. The present study demonstrates that angle-resolved (e, e + ion) spectroscopy is a powerful means to investigate shape resonances in the nondipole ionization of molecules, and the outcomes provide a foundation for elucidating the impact of resonance transitions on molecular processes induced by electron impact.

This paper presents a theoretical investigation into the electron excitations of CFCl3 and CF2Cl2, whose photolysis results in the release of chlorine atoms, causing the destruction of stratospheric ozone. The generalized oscillator strengths (GOSs) of valence excitations are calculated at the equation-of-motion coupled-cluster singles and doubles level. The results for electron excitations from Cl 3p nonbonding orbitals (n3p) to the lowest-lying C-Cl antibonding orbital (sigma*) show overall reasonable agreement with the available experimental data. Furthermore, the calculations demonstrate that excitations to the second lowest C-Cl antibonding orbital considerably contribute to the energy region of 8.5-9.5 eV. It is also shown that the C-Cl asymmetric stretching vibration exerts a notable influence on several valence excitations. Additionally, the effect of successive chlorination on the GOS profiles for a series of chlorofluoromethanes is examined to acquire a comprehensive understanding of n3p -> sigma* transitions observed in a range of chlorofluorocarbons and hydrochlorofluorocarbons.

We present a general theory of quantum chemistry-based atomic momentum spectroscopy (QC-AMS) for predicting electron-atom Compton profiles due to the intramolecular motion of each atom in diatomic, triatomic and polyatomic molecules. The atomic motion is assumed to be decomposable into normal-mode molecular vibrations and molecular rotations, and the latter are treated classically. An accuracy assessment of the general theory is performed through comparisons with the AMS Compton profiles of HD and NO, predicted by the full quantum chemistry-based AMS theory that is precise but can work only for diatomic molecules. Furthermore, a practical test is also performed through comparisons with experimental Compton profiles due to intramolecular H-atom motions in HD and CH4. It is shown that the general theory is highly accurate, except at extremely low temperatures.

We report a theoretical study of the electron-impact electronic excitation of fluoromethanes. Generalized oscillator strengths (GOSs) are calculated for the molecules at the equation-of-motion coupled-cluster singles and doubles level. To clarify the influence of nuclear dynamics on the electronic excitations, the effects of internal molecular vibrations are included in the calculation. Comparison with experimental data resolves some inconsistencies in the assignment of the transition bands. Furthermore, it is shown that the lengthening of the CH bond enhances the excitation from the highest occupied orbital to the 3s Rydberg orbital for CHF3, CH2F2, and CH3F, and that the CH stretching vibrations thus have a significant influence, especially at small momentum transfer where electric dipole transitions are dominant. Since the 2 1A1 state of CHF3 dissociates into CF3 + H, the result indicates that the CH stretching vibration causes an increase in the production of CF3 by electron collision and by photoabsorption.

This paper investigates the effects of methyl substitution on the valence orbital momentum distributions of adamantane. Kinematically complete electron-impact ionization experiments on 1,3-dimethyladamantane are performed at an incident electron energy of 1.2 key, and the resulting electron momentum profiles are compared with those of pristine adamantane. Moreover, the influences of molecular vibration and distorted-wave effects on the electron momentum profiles are examined. The highest occupied molecular orbital (HOMO) of adamantane, 7t2, is split into the 10b1, 18a1, and 12b2 orbitals in 1,3-dimethyladamantane. It is revealed that the momentum profile for the sum of the 10b1, 18a1, and 12b2 orbitals exhibits a markedly higher intensity at low momentum than that of the 7t2 parent orbital. This strongly suggests that the HOMO is spatially more extended when surface hydrogens are replaced with methyl groups, which causes an increase in the absorption cross section of the 3 s Rydberg excitation.

In this paper we will discuss the p-reducibility/irreducibility of positive polynomials, and we will give some sufficient conditions for quintic polynomials to be p-reducible/irreducible. This research is closely related to some problems in bio-chemistry, especially to the cooperativity in bio-systems. We will study some applications of our results to these problems.

In proportional-integral-derivative (PID) control, it is well known that the selection of a method to deal with noise is an important issue and various methods have been proposed. However, similar methods to determine the response to noise have not been studied in probability theory. In this paper, a new method called “weak form” is proposed and a probabilistic analysis of filtered derivatives is performed using this method. The method discussed in this paper is considered effective when it is not a feedback control.

Itinerant ferromagnetism is understood in terms of a quasiparticle picture with renormalized many-body effects. While the ferromagnetic ground state is destabilized by thermal and quantum fluctuations leading to exotic states such as unconventional superconductivity, how the quasiparticles evolve across the ferromagnetic transition is a target of intensive debate. Here, we present a type of ferromagnetic transition that is accompanied by a drastic reconstruction of quasiparticle spectrum in a layered ferromagnetic ruthenate, Sr4Ru3O10. Angle-resolved photoemission spectroscopy uncovered that the three-dimensional coherent states below the ferromagnetic transition temperature (TC) turn into two-dimensional incoherent electronic states slightly above T C characterized by the disappearance of trilayer band splitting, ferromagnetic exchange splitting, and long-lived quasiparticles. Our findings suggest that the electronic coherence strongly modifies the fermiology and magnetic order, pointing to an intriguing coupling between quasiparticles and magnetic properties.

This paper reports a theoretical study of valence shell excitation in CCl4 by high-energy electron impact. Generalized oscillator strengths are calculated for the molecule at the equation-of-motion coupled-cluster singles and doubles level. To elucidate the influence of nuclear dynamics on electron excitation cross-sections, the effects of molecular vibration are included in the calculation. Based on a comparison with recent experimental data, several reassignments of spectral features are made, and it is found that excitations from the Cl 3p nonbonding orbitals to σ* antibonding orbitals, 7a1 and 8t2, play dominant roles below the excitation energy of ∼9 eV. Furthermore, the calculations reveal that distortion of the molecular structure due to the asymmetric stretching vibration significantly affects the valence excitations at small momentum transfers, where contributions from dipole transitions are dominant. It indicates that vibrational effects have a considerable influence on Cl formation in the photolysis of CCl4.

Based on the classical dynamical entropy, the channel coding theorem is investigated. Attempts to extend the dynamical entropy to quantum systems have been made by several researchers In 1999, Kossakowski, Ohya and I introduced the quantum dynamical entropy (KOW entropy) for completely positive maps containing an automorphism describing the time evolution. Its formulation used transition expectations and lifting in the sense of Accardi and Ohya and was studied as a measure of the complexity of quantum mechanical systems. This KOW entropy allowed the extension of generalized AF (Alicki and Fannes) entropy and generalized AOW (Accardi, Ohya and Watanabe) entropy. In addition, the S-Mixing entropy and S-mixing mutual-entropy were formulated by Ohya in 1985. Compound states are an important tool for formulating mutual entropy, and the complexity was constructed by the generalized AOW entropy. In this paper, the complexity associated with the entangled compound states in the C* dynamical system based on the generalized AOW entropy based on the KOW entropy is investigated to lay the foundation for the proof of the theorem of channel coding for quantum systems. We show that the fundamental inequalities of the mutual entropy are satisfied when the initial state is transmitted over the channel changes with time.

We study the electron-impact dissociative ionization of SF6 using a scattered electron-ion coincidence technique. The ion-yield spectra are obtained at an incident electron energy of 1.4 keV for scattering angles ranging from 2.2 degrees to 8.2 degrees to investigate the momentum transfer dependences of the fragment-ion yields and shape resonance features. It is found that the 4t1u -> epsilon t2g resonance is evident over a wide momentum transfer range, indicating its strong influence on the SF3+ production by electron impact, while resonance bands in the SF5+ and SF4+ yield spectra rapidly diminish with increasing momentum transfer. In addition, the angular distribution of SF5+ reveals the significant difference in stereodynamics between electron-impact-induced and photon-induced ionization of SF6. We also discuss the dissociation mechanisms of SF6+ using the kinetic energy distributions of the fragment ions. Analysis of the data strongly suggests that many of the SF6+ ions in the D 2T2g state decay by internal conversion to a lower electronic state and dissociate to SF5+ + F, followed by statistical emission of F or F2.

This study examined quality indicators (QIs) for heart failure (HF) in patients' referral documents (PRDs).We conducted a nationwide questionnaire survey to identify information that general practitioners (GPs) would like hospital cardiologists (HCs) to include in PRDs and that HCs actually include in PRDs. The percentage of GPs that desired each item included in PRDs was converted into a deviation score, and items with a deviation score of ≥ 50 were defined as QIs. We rated the quality of PRDs provided by HCs based on QI assessment.We received 281 responses from HCs and 145 responses from GPs. The following were identified as QIs: 1) HF cause; 2) B-type natriuretic peptide (BNP) or N-terminal pro-BNP concentration; 3) left ventricular ejection fraction or echocardiography; 4) body weight; 5) education of patients and their families on HF; 6) physical function, and 7) functions of daily living. Based on QI assessment, only 21.7% of HCs included all seven items in their PRDs. HCs specializing in HF and institutions with many full-time HCs were independently associated with including the seven items in PRDs.The quality of PRDs for HF varies among physicians and hospitals, and standardization is needed based on QI assessment.

In Ref. 27, Ohya proposed the information dynamics synthesizing several ways of studying complex systems. In information dynamics, there are two types of complexities, one is a complexity of state representing system itself and another is a transmitted complexity between two systems. Entropies in classical and quantum systems are examples of these complexities of information dynamics. Transmitted complexity is an important tool to analyze the efficiency of information transmission in communication processes. In order to treat a flow of dynamical process, dynamical entropies were introduced in not only classical but also quantum systems. Based on the transition expectation introduced by Accardi to study quantum Markov process, the KOW entropy for completely positive (CP) maps was defined in Ref. 17. The generalized AOW and the AF entropies was constructed by the KOW entropy. The compound states are important tool to define the transmitted entropy 43,44. The transmitted complexity associated with the separable compound states is defined by using the generalized AOW entropy in Refs. 36 and 45. In this paper, we define a transmitted complexity (quantum dynamical mutual entropy) by means of the modified compound states and we prove the fundamental inequalities of the transmitted complexity for the independent quantum dynamical systems.

In order to study the efficiency of information transmission of the quantum communication processes consistently, we discuss the entropy type functional and the mutual entropy type functional with respect to the initial state and the quantum communication channel in general quantum systems. The mutual entropy type measures are formulated by the compound states between the initial and final systems. In this paper, we modify the compound state and investigate the entropy functional and the mutual entropy functional constructed by the modified compound states by means of the initial state and the completely positive channel to examine the efficiency of information transmission of the general quantum communication processes

We report a theoretical study of electronic excitation in CH3Cl and CF3Cl by electron impact. Momentum-transfer-dependent generalized oscillator strengths (GOSs) are calculated for transitions to low-lying excited singlet-states at the equation-of-motion coupled-cluster singles and doubles level. The influence of molecular vibration is taken into account in the calculation. The theoretical results show reasonable overall agreement with experimental data reported in the literature. The shapes of the GOS profiles reveal that the 1 1E state of CH3Cl has a valence-Rydberg mixed nature, while that of CF3Cl is of a predominant C–Cl antibonding character. A comparison with the experimental GOSs of CH3Cl provides unambiguous evidence that the 3pe state is lower in energy than the 3pa1 state. Optical oscillator strengths are also calculated and comparison is made with available experimental and other theoretical results.

This paper reports an experimental and theoretical study on the valence orbital momentum distributions of trans-stilbene. Experimentally, an (e, 2e) electron-impact ionization measurement is performed to obtain momentum profiles of the outer valence orbitals. Theoretically, calculations of the momentum profiles are carried out at the level of density functional theory, including the influences of thermally induced torsional motions of phenyl rings as well as contributions from other vibrational modes. The theoretical analysis shows that despite the structural flexibility of trans-stilbene, molecular vibration does not significantly affect the momentum profiles. The experimental results for the high-lying occupied π orbitals reveal that the position of the maximum in each momentum profile reflects the bonding character of the corresponding orbital. It provides a basis to apply electron momentum spectroscopy to large π-conjugated molecules, such as oligomers of conducting polymers.