A perturbation calculation of properties of the 2 pπ state of HeH 2+

1957 ◽  
Vol 240 (1221) ◽  
pp. 274-283 ◽  
Keyword(s):  
Dipole Moment ◽  
Total Energy ◽  
Second Order ◽  
Wave Functions ◽  
Quadrupole Moments ◽  
Perturbation Calculation ◽  
Third Order ◽  
The Third ◽  
Fifth Order ◽  
Kinetic And Potential Energies

A perturbation calculation, valid in the limit of large separations, of various properties of the 2 pπ state of HeH 2+ is carried out. The total energy and the kinetic and potential energies are calculated to the fifth order, the dipole moment to the third order and the quadrupole moments to the second order and the results compared with those obtained using exact and variationally determined two-centre wave functions. Some results are also given for the 2 pπ u and 3 dπ g states of H + 2 and the influence of nuclear symmetry at large separations is briefly discussed.

A perturbation calculation of properties of the 1 s σ and ­2 p σ states of HeH 2+

1956 ◽  
Vol 238 (1213) ◽  
pp. 276-285 ◽  
Keyword(s):  
Dipole Moments ◽  
High Accuracy ◽  
Wave Functions ◽  
Quadrupole Moments ◽  
Perturbation Calculation ◽  
Third Order ◽  
The Third ◽  
Wide Range ◽  
Fifth Order ◽  
Kinetic And Potential Energies

A perturbation calculation, valid in the limit of large separations, of various properties of the 1 s σ and 2 p σ states of HeH 2+ is carried out. The total energy and the kinetic and potential energies are calculated to the fifth order, the dipole moments to the third order and the quadrupole moments to the second order. The results are compared with those obtained using exact and variationally determined two-centre wave functions and also with those obtained from an approximate application of perturbation theory and it is shown that perturbation calculations of molecular properties are capable of high accuracy over a wide range of nuclear separations.

Higher-order terms in the dielectric constant of ionic crystals

1959 ◽  
Vol 252 (1269) ◽  
pp. 217-235 ◽  
Keyword(s):  
Dielectric Constant ◽  
Dipole Moment ◽  
Higher Order ◽  
Second Order ◽  
Static Dielectric Constant ◽  
Order Moment ◽  
Ionic Crystals ◽  
Third Order ◽  
The Third ◽  
Infra Red

The infra-red absorption of ionic crystals differs in important details from the predictions of the theory based on first approximations. It is known that this discrepancy may be due to two effects which are neglected in such a theory, namely, to the anharmonic terms in the potential energy and to those terms in the dipole moment which are of higher order than the first in the displacement co-ordinates. These higher-order terms in the dipole moment arise from the deformation of the electron shells. The present paper develops in a systematic way the influence of these higher-order effects on the static dielectric constant. Because of the dispersion relations, the terms occurring in the static dielectric constant must also appear in the infra-red absorption spectrum . It is found that the third- and the fourth-order potential, the second- and the third-order dipole moment, and cross-terms between the second-order moment and the third-order potential, all con­tribute terms in the same order to the static dielectric constant. It is also found that the third-order potential contains important contributions from the long-range dipolar inter­action. These dipolar contributions are proportional to the product of the first- and second-order dipole moments, and it follows that in ionic crystals a large second-order moment automatically results in a large third-order potential. It is suggested that these dipolar contributions to the third-order potential may be responsible for the fact that in the infra-red spectra of different ionic crystals not only the intensity of the side band but also the width of the main band varies in the same way as the deformability of the electron shells.

scholarly journals An Improved Analytical Tuning Rule of a Robust PID Controller for Integrating Systems with Time Delay Based on the Multiple Dominant Pole-Placement Method

Symmetry ◽  
2020 ◽  
Vol 12 (9) ◽  
pp. 1449 ◽  
Author(s):  
Wei Zhang ◽  
Yue Cui ◽  
Xiangxin Ding
Keyword(s):  
Time Delay ◽  
Pid Controller ◽  
Second Order ◽  
Pole Placement ◽  
Tuning Parameter ◽  
Third Order ◽  
Placement Method ◽  
The Third ◽  
Dominant Pole ◽  
Fifth Order

An improved analytical tuning rule of a Proportional-Integral-Derivative (PID) controller for integrating systems with time delay is proposed using the direct synthesis method and multiple dominant pole-placement approach. Different from the traditional multiple dominant pole-placement method, the desired characteristic equation is obtained by placing the third-order dominant poles at −1/λ and placing the second-order non-dominant poles at −5/λ (λ is the tuning parameter). According to root locus theory, the third-order dominant poles and the second-order non-dominant poles are nearly symmetrically located at the two sides of the fifth-order dominant poles. This makes the third-order dominant poles closer to the imaginary axis than the fifth-order dominant poles, which means that, possibly, better performances can be achieved. Analytical formulas of a PID controller with a lead-lag filter are derived. Simple tuning rules are also given to achieve the desired robustness, which is measured by the maximum sensitivity (Ms) value. The proposed method can achieve better performances and maintain better performances when there exist parameters’ perturbation compared with other methods. Simulations for various integrating processes as well as the nonlinear continuous stirred tank reactor (CSTR) model illustrate the applicability and effectiveness of the proposed method.

scholarly journals B-splines Algorithms for Solving Fredholm Linear Integro-Differential Equations

2004 ◽  
Vol 1 (2) ◽  
pp. 340-346
Author(s):  
Baghdad Science Journal
Keyword(s):  
Differential Equations ◽  
Spline Function ◽  
Cubic Spline ◽  
Second Order ◽  
Third Order ◽  
B Spline ◽  
Numerical Examples ◽  
B Splines ◽  
The Third ◽  
New Procedures

Algorithms using the second order of B -splines [B (x)] and the third order of B -splines [B,3(x)] are derived to solve 1' , 2nd and 3rd linear Fredholm integro-differential equations (F1DEs). These new procedures have all the useful properties of B -spline function and can be used comparatively greater computational ease and efficiency.The results of these algorithms are compared with the cubic spline function.Two numerical examples are given for conciliated the results of this method.

A Two-Dimensional Potential Flow Model of the Wave Field Generated by a Semisubmerged Body in Heaving Motion

1988 ◽  
Vol 32 (02) ◽  
pp. 83-91
Author(s):  
X. M. Wang ◽  
M. L. Spaulding
Keyword(s):  
Free Surface ◽  
Boundary Conditions ◽  
Potential Flow ◽  
Flow Model ◽  
Second Order ◽  
Two Dimensional ◽  
Third Order ◽  
The Third ◽  
Potential Flow Model ◽  
Good Agreement

A two-dimensional potential flow model is formulated to predict the wave field and forces generated by a sere!submerged body in forced heaving motion. The potential flow problem is solved on a boundary fitted coordinate system that deforms in response to the motion of the free surface and the heaving body. The full nonlinear kinematic and dynamic boundary conditions are used at the free surface. The governing equations and associated boundary conditions are solved by a second-order finite-difference technique based on the modified Euler method for the time domain and a successive overrelaxation (SOR) procedure for the spatial domain. A series of sensitivity studies of grid size and resolution, time step, free surface and body grid redistribution schemes, convergence criteria, and free surface body boundary condition specification was performed to investigate the computational characteristics of the model. The model was applied to predict the forces generated by the forced oscillation of a U-shaped cylinder. Numerical model predictions are generally in good agreement with the available second-order theories for the first-order pressure and force coefficients, but clearly show that the third-order terms are larger than the second-order terms when nonlinearity becomes important in the dimensionless frequency range 1≤ Fr≤ 2. The model results are in good agreement with the available experimental data and confirm the importance of the third order terms.

scholarly journals Achieving Seventh-Order Amplitude Accuracy in Leapfrog Integrations

2013 ◽  
Vol 141 (9) ◽  
pp. 3037-3051 ◽  
Author(s):  
Paul D. Williams
Keyword(s):  
Nonlinear System ◽  
Third Order ◽  
First Order ◽  
Time Stepping ◽  
The Third ◽  
Numerical Integrations ◽  
Seventh Order ◽  
Ocean Models ◽  
Stability And Accuracy ◽  
Fifth Order

Abstract The leapfrog time-stepping scheme makes no amplitude errors when integrating linear oscillations. Unfortunately, the Robert–Asselin filter, which is used to damp the computational mode, introduces first-order amplitude errors. The Robert–Asselin–Williams (RAW) filter, which was recently proposed as an improvement, eliminates the first-order amplitude errors and yields third-order amplitude accuracy. However, it has not previously been shown how to further improve the accuracy by eliminating the third- and higher-order amplitude errors. Here, it is shown that leapfrogging over a suitably weighted blend of the filtered and unfiltered tendencies eliminates the third-order amplitude errors and yields fifth-order amplitude accuracy. It is further shown that the use of a more discriminating (1, −4, 6, −4, 1) filter instead of a (1, −2, 1) filter eliminates the fifth-order amplitude errors and yields seventh-order amplitude accuracy. Other related schemes are obtained by varying the values of the filter parameters, and it is found that several combinations offer an appealing compromise of stability and accuracy. The proposed new schemes are tested in numerical integrations of a simple nonlinear system. They appear to be attractive alternatives to the filtered leapfrog schemes currently used in many atmosphere and ocean models.

WENO-TVD schemes for hyperbolic conservation laws

Analysis ◽  
2007 ◽  
Vol 27 (1) ◽  
Author(s):  
Yousef Hashem Zahran
Keyword(s):  
Conservation Laws ◽  
Hyperbolic Conservation Laws ◽  
Building Blocks ◽  
Second Order ◽  
Third Order ◽  
Weno Schemes ◽  
Hyperbolic Conservation ◽  
Systematic Assessment ◽  
The Third ◽  
Seventh Order

The purpose of this paper is twofold. Firstly we carry out a modification of the finite volume WENO (weighted essentially non-oscillatory) scheme of Titarev and Toro [14] and [15].This modification is done by using two fluxes as building blocks in spatially fifth order WENO schemes instead of the second order TVD flux proposed by Titarev and Toro [14] and [15]. These fluxes are the second order TVD flux [19] and the third order TVD flux [20].Secondly, we propose to use these fluxes as a building block in spatially seventh order WENO schemes. The numerical solution is advanced in time by the third order TVD Runge–Kutta method. A way to extend these schemes to general systems of nonlinear hyperbolic conservation laws, in one and two dimension is presented. Systematic assessment of the proposed schemes shows substantial gains in accuracy and better resolution of discontinuities, particularly for problems involving long time evolution containing both smooth and non-smooth features.

Contigious hyperquadrics of coequipped hyperbands sHm

2019 ◽  
pp. 126-132
Author(s):  
Yu. Popov
Keyword(s):  
Projective Space ◽  
Second Order ◽  
Third Order ◽  
Base Surface ◽  
The Third ◽  
Two Parameter ◽  
Order Contact

We consider hyperquadrics that are internally connected to coequipped hyperbands in the projective space. Specifically, a hyperquadric Qn1 tangent to a hyperplane at the point is called a contiguous hyper quadric of a hyperband if it has a second-order contact with the base surface of the hyperband. In a the third order differential neighborhood of the forming element of the hyperband, two two-parameter bundles of fields of adjoining hyperquadrics are internally invariantly joined, their equations are given in a dot frame. The set of hyperquadrics such that the plane and the plane of Cartan are conjugate with respect to hyperquadric Qn1 is considered. The condition is shown under which the normal of the 2nd kind and the Cartan plane are conjugate with respect to the hyperquadric Qn1 . In addition, the following theorem is proved: normalization of a coequipped regular hyperband has a semi-internal equipment if and only if its normals of the first and second kind are polarly conjugate with respect to the hyperquadric.

The geometrical aberrations of general electron optical systems II. The primary (third order) aberrations of orthogonal systems, and the secondary (fifth order) aberrations of round systems

1965 ◽  
Vol 257 (1086) ◽  
pp. 523-552 ◽  
Keyword(s):  
Second Order ◽  
Order Perturbation ◽  
Optical Systems ◽  
Characteristic Functions ◽  
Electron Optics ◽  
Third Order ◽  
Variation Of Parameters ◽  
General Kind ◽  
Fifth Order ◽  
Orthogonal Systems

The theory of characteristic functions, developed by Sturrock for electron optics, is used to calculate the primary aberrations of rectilinear orthogonal systems of the most general kind. In the second part, the secondary aberrations of round systems are calculated with the aid of Sturrock’s second-order perturbation characteristic functions. A proof of the equivalence of the aberration formulae obtained by Melkich, using the variation of parameters method, and those obtained below is offered in an appendix.

Sign in / Sign up

Export Citation Format

Share Document