Towards a three dimensional solution for 3N bound states with 3NFs

After a brief discussion about the necessity of using the 3D approach, we present the non PW formalism for 3N bound state with the inclusion of 3N force (3NF). As an example the evaluation of 3NF matrix elements, which appear in the obtained coupled three dimensional integral equations, for $2\pi$-exchange Tucson-Melbourne 3NF show how would be this formalism efficient and less cumbersome in comparison with the PW formalism.Comment: 8 pages, this paper is based on an invited talk given at the Fourth Asia-Pacific Conference on Few-Body Problems in Physics 2008, Depok, Indonesia, August 19 - 23, 200

Trion clustering structure and binding energy in 2D semiconductor materials: Faddeev equations approach

In this work, we develop the basic formalism to study trions in semiconductor layered materials using the Faddeev equations in momentum space for three different particles lying in two dimensions. We solve the trion Faddeev coupled integral equations for both short-range one-term separable Yamaguchi potential and Rytova-Keldysh (RK) interaction applied to the MoS$_2$ layer. We devise two distinct regularization methods to overcome the challenge posed by the repulsive electron-electron RK potential in the numerical solution of the Faddeev equations in momentum space. The first method regulates the repulsive interaction in the infrared region, while the second regulates it in the ultraviolet region. By extrapolating the trion energy to the situation without screening, the two methods gave consistent results for the MoS$_2$ layer with a trion binding energy of $-49.5(1)$~meV for the exciton energy of $-753.3$~meV. We analyzed the trion structure for the RK and Yamaguchi potentials in detail, showing their overall similarities and the dominant cluster structure, where the strongly bound exciton is weakly bound to an electron. We found that this property is manifested in the dominance of two of the Faddeev components over the one where the hole is a spectator of the interacting electron pair.Comment: 16 pages, 11 figues, 8 table

Triton photodisintegration in three-dimensional approach

Two- and three- particles photodisintegration of the triton is investigated in a three-dimensional (3D) Faddeev approach. For this purpose the Jacobi momentum vectors for three particles system and spin-isospin quantum numbers of the individual nucleons are considered. Based on this picture the three-nucleon Faddeev integral equations with the two-nucleon interaction are formulated without employing the partial wave decomposition. The single nucleon current as well as $\pi-$ and $\rho-$ like exchange currents are used in an appropriate form to be employed in 3D approach. The exchange currents are derived from AV18 NN force. The two-body t-matrix, Deuteron and Triton wave functions are calculated in the 3D approach by using AV18 potential. Benchmarks are presented to compare the total cross section for the two- and three- particles photodisintegration in the range of $E_{\gamma}<30 MeV$. The 3D Faddeev approach shows promising results

Universality in Four-Boson Systems

We report recent advances on the study of universal weakly bound four-boson states from the solutions of the Faddeev-Yakubovsky equations with zero-range two-body interactions. In particular, we present the correlation between the energies of successive tetramers between two neighbor Efimov trimers and compare it to recent finite range potential model calculations. We provide further results on the large momentum structure of the tetramer wave function, where the four-body scale, introduced in the regularization procedure of the bound state equations in momentum space, is clearly manifested. The results we are presenting confirm a previous conjecture on a four-body scaling behavior, which is independent of the three-body one. We show that the correlation between the positions of two successive resonant four-boson recombination peaks are consistent with recent data, as well as with recent calculations close to the unitary limit. Systematic deviations suggest the relevance of range corrections.Comment: Accepted for publication in special issue of Few-Body Systems devoted to the Sixth Workshop on the Critical Stability of Quantum Few-Body Systems, October 2011, Erice, Sicily, Ital

Binding and structure of tetramers in the scaling limit

The momentum-space structure of the Faddeev-Yakubovsky (FY)components of weakly-bound tetramers is investigated at the unitary limit using a renormalized zero-range two-body interaction. The results, obtained by considering a given trimer level with binding energy $B_3$, provide further support to a universal scaling function relating the binding energies of two successive tetramer states. The correlated scaling between the tetramer energies comes from the sensitivity of the four-boson system to a short-range four-body scale. Each excited $N-$th tetramer energy $B_4^{(N)}$ moves as the short-range four-body scale changes, while the trimer properties are kept fixed, with the next excited tetramer $B_4^{(N+1)}$ emerging from the atom-trimer threshold for a universal ratio $B_4^{(N)}/B_3 = B_4^ {(N)}/B_4^{(N+1)} \simeq 4.6$, which does not depend on $N$. We show that both channels of the FY decomposition [atom-trimer ($K-$type) and dimer-dimer ($H-$type)] present high momentum tails, which reflect the short-range four-body scale. We also found that the $H-$channel is favored over $K-$channel at low momentum when the four-body momentum scale largely overcomes the three-body one.Comment: To appear in PR

Heterogeneous determinants of quality of life in different phenotypes of Parkinson's disease

Objectives Health-related quality of life (HRQoL) is considered a very important outcome indicator in patients with Parkinson's disease (PD). A broad list of motor and non-motor features have been shown to affect HRQoL in PD, however, there is a dearth of information about the complexity of interrelationships between determinants of HRQoL in different PD phenotypes. We aimed to find independent determinates and the best structural model for HRQoL, also to investigate the heterogeneity in HRQoL between PD patients with different phenotypes regarding onset-age, progression rate and dominant symptom. Methods A broad spectrum of demographic, motor and non-motor characteristics were collected in 157 idiopathic PD patients, namely comorbidity profile, nutritional status, UPDRS (total items), psychiatric symptoms (depression, anxiety), fatigue and psychosocial functioning through physical examination, validated questionnaires and scales. Structural equation model (SEM) and multivariate regressions were applied to find determinants of Parkinson's disease summary index (PDSI) and different domains of HRQoL (PDQ-39). Results Female sex, anxiety, depression and UPDRS-part II scores were the significant independent determinants of PDSI. A structural model consisting of global motor, global non-motor and co-morbidity indicator as three main components was able to predict 89 of the variance in HRQoL. In older-onset and slow-progression phenotypes, the motor domain showed smaller contribution on HRQoL and the majority of its effects were mediated through non-motor features. Comorbidity component was a significant determinant of HRQoL only among older-onset and non-tremor-dominant PD patients. Fatigue was not a significant indicator of non-motor component to affect HRQoL in rapid-progression PD. Conclusions Our findings showed outstanding heterogeneities in the pattern and determinants of HRQoL among PD phenotypes. These factors should be considered during the assessments and developing personalized interventions to improve HRQOL in PD patients with different phenotypes or prominent feature. © 2015 Fereshtehnejad et al

Four-Body Bound State Calculations in Three-Dimensional Approach

The four-body bound state with two-body interactions is formulated in Three-Dimensional approach, a recently developed momentum space representation which greatly simplifies the numerical calculations of few-body systems without performing the partial wave decomposition. The obtained three-dimensional Faddeev-Yakubovsky integral equations are solved with two-body potentials. Results for four-body binding energies are in good agreement with achievements of the other methods.Comment: 29 pages, 2 eps figures, 8 tables, REVTeX

Temperature-dependent polymorphism of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide: experimental and theoretical studies on intermolecular interactions in the crystal state

X-ray analysis of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide reveals the temperature-dependent polymorphism associated with the crystallographic symmetry conversion. The observed crystal structure transformation corresponds to a symmetry reduction from I41 /a (I) to P43 (II) space groups. The phase transition mainly concerns the subtle but clearly noticeable reorganization of molecules in the crystal space, with the structure of individual molecules left almost unchanged. The Hirshfeld surface analysis shows that various intermolecular contacts play an important role in the crystal packing, revealing graphically the differences in spatial arrangements of the molecules in both polymorphs. The N-oxide oxygen atom acts as a formally negatively charged hydrogen bonding acceptor in intramolecular hydrogen bond of N–H…O− type. The combined crystallographic and theoretical DFT methods demonstrate that the observed intramolecular N-oxide N–H…O hydrogen bond should be classified as a very strong charge-assisted and closed-shell non-covalent interaction