Search results for "Equations"
showing 10 items of 955 documents
The body-mind problem from a personality relativity theory approach: (Relativity of personality)
2012
The body-mind problem is here posed fromthe General Factor of Personality Theory and mathematically presented as a relativity theory: 1. A two-level-invariant model; 2. The transformation equation between both levels. On a hand, the investigation of personality dynamicsas a consequenceof a stimulant drug provides a system of two coupled differential equations, which adapts to both biological (body) and psychological (mind)levels ofdescription. On the other hand, a system of two coupled partial differential equations is here deduced as the transformation model between the biological and psychological levels. Both models are presented and validated in this paper. The experimental design to va…
H2 O, H2 , HF, F2 and F2 O nuclear magnetic shielding constants and indirect nuclear spin-spin coupling constants (SSCCs) in the BHandH/pcJ-n and BHa…
2009
Good performance of segmented contracted basis sets XZP, where X = D, T, Q and 5, for obtaining H(2)O, H(2), HF, F(2) and F(2)O nuclear isotropic shielding constants in the BHandH Kohn-Sham basis set limit was shown. The results of two- and three-parameter complete basis set limit extrapolation schemes were compared with experimental results, earlier literature data and benchmark ab initio results. Similar convergence patterns of shieldings obtained from calculations using general purpose XZP basis sets and from polarization-consistent basis sets pcS-n and pcJ-n, where n = 0, 1, 2, 3 and 4, designed to accurately predict magnetic properties were observed. On the contrary, the SSCCs were mor…
Basis Set Convergence of Indirect Spin-Spin Coupling Constants in the Kohn-Sham Limit for Several Small Molecules
2012
The performance of more than 40 density functionals in predicting indirect spin-spin coupling constants (SSCCs) in the Kohn-Sham basis set limit was tested. For comparison, similar calculations were performed using the RHF, SOPPA, SOPPA(CC2), and SOPPA(CCSD) methods, and the results were estimated toward the complete basis set (CBS) limit. The SSCCs of nine small molecules (N(2), CO, CO(2), NH(3), CH(4), C(2)H(2), C(2)H(4), C(2)H(6), and C(6)H(6)) were calculated using the dedicated Jensen pcJ-n polarization-consistent basis sets and used for the CBS limit estimations within the Kohn-Sham limit. These CBS results were compared with calculations using the aug-cc-pVTZ-J basis set. Among the 4…
Linear response theory in asymmetric nuclear matter for Skyrme functionals including spin-orbit and tensor terms II: Charge Exchange
2019
International audience; We present the formalism of linear response theory both at zero and finite temperature in the case of asymmetric nuclear matter excited by an isospin flip probe. The particle-hole interaction is derived from a general Skyrme functional that includes spin-orbit and tensor terms. Response functions are obtained by solving a closed algebraic system of equations. Spin strength functions are analyzed for typical values of density, momentum transfer, asymmetry, and temperature. We evaluate the role of statistical errors related to the uncertainties of the coupling constants of the Skyrme functional and thus determine the confidence interval of the resulting response functi…
Quantum and Classical Statistical Mechanics of the Non-Linear Schrödinger, Sinh-Gordon and Sine-Gordon Equations
1985
We are going to describe our work on the quantum and classical statistical mechanics of some exactly integrable non-linear one dimensional systems. The simplest is the non-linear Schrodinger equation (NLS) $$i{\psi _t} = - {\psi _{XX}} + 2c{\psi ^ + }\psi \psi $$ (1) where c, the coupling constant, is positive. The others are the sine- and sinh-Gordon equations (sG and shG) $${\phi _{xx}} - {\phi _{tt}} = {m^2}\sin \phi $$ (1.2) $${\phi _{xx}} - {\phi _{tt}} = {m^2}\sinh \phi $$ (1.3)
Prediction of water's isotropic nuclear shieldings and indirect nuclear spin–spin coupling constants (SSCCs) using correlation‐consistent and polariz…
2009
Density functional theory (DFT) was used to estimate water's isotropic nuclear shieldings and indirect nuclear spin-spin coupling constants (SSCCs) in the Kohn-Sham (KS) complete basis set (CBS) limit. Correlation-consistent cc-pVxZ and cc-pCVxZ (x = D, T, Q, 5, and 6), and their modified versions (ccJ-pVxZ, unc-ccJ-pVxZ, and aug-cc-pVTZ-J) and polarization-consistent pc-n and pcJ-n (n = 0, 1, 2, 3, and 4) basis sets were used, and the results fitted with a simple mathematical formula. The performance of over 20 studied density functionals was assessed from comparison with the experiment. The agreement between the CBS DFT-predicted isotropic shieldings, spin-spin values, and the experimenta…
Spin-Wave Driven Bidirectional Domain Wall Motion in Kagome Antiferromagnets
2021
We predict a mechanism to controllably manipulate domain walls in kagome antiferromagnets via a single linearly polarized spin-wave source. We show by means of atomistic spin dynamics simulations of antiferromagnets with kagome structure that the speed and direction of the domain wall motion can be regulated by only tuning the frequency of the applied spin-wave. Starting from microscopics, we establish an effective action and derive the corresponding equations of motion for the spin-wave-driven domain wall. Our analytical calculations reveal that the coupling of two spin-wave modes inside the domain wall explains the frequency-dependent velocity of the spin texture. Such a highly tunable sp…
Incomplete Riemann Solvers Based on Functional Approximations to the Absolute Value Function
2021
We give an overview on the work developed in recent years about certain classes of incomplete Riemann solvers for hyperbolic systems. These solvers are based on polynomial or rational approximations to |x|, and they do not require the knowledge of the complete eigenstructure of the system, but only a bound on the maximum wave speed. Our solvers can be readily applied to nonconservative hyperbolic systems, by following the theory of path-conservative schemes. In particular, this allows for an automatic treatment of source or coupling terms in systems of balance laws. The properties of our schemes have been tested with some challenging numerical experiments involving systems such as the Euler…
An equivalent single-layer approach for free vibrations analysis of smart laminated thick composite plates
2012
An equivalent single-layer model for the free vibration analysis of smart laminated plates is presented. The electric and magnetic fields are assumed to be quasi-static and third-order in-plane kinematics is employed to adequately take the shear influence into account when the plate thickness increases. The model governing equations are the plate equations of motion written in terms of mechanical primary variables and effective stiffness coefficients, which take the multifield coupling effects into account. The model shows that the surfaces magneto-electric boundary conditions enter the definitions of the laminate forces and moments resultants. Moreover, it reveals that new stiffness terms,…
Cross-diffusion effects on stationary pattern formation in the FitzHugh-Nagumo model
2022
<p style='text-indent:20px;'>We investigate the formation of stationary patterns in the FitzHugh-Nagumo reaction-diffusion system with linear cross-diffusion terms. We focus our analysis on the effects of cross-diffusion on the Turing mechanism. Linear stability analysis indicates that positive values of the inhibitor cross-diffusion enlarge the region in the parameter space where a Turing instability is excited. A sufficiently large cross-diffusion coefficient of the inhibitor removes the requirement imposed by the classical Turing mechanism that the inhibitor must diffuse faster than the activator. In an extended region of the parameter space a new phenomenon occurs, namely the exis…