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Exponent stabilization method

The advantage of the exponent stabilization method is that all necessary calculations can be performed using standard quantum chemistry codes, without modification. This makes such calculations readily accessible to the average chemist, and in addition various levels of theory can be brought to bear to compute the E t]) stabilization curves. That said, the procedure is somewhat more complicated as compared to ordinary bound-state quantum chemistry calculations, because multiple states of M must be calculated, the stabilization graphs must be fit to analytic functions in the avoided crossing region(s), and finally these functions must be analytically continued and stationary points located... [Pg.489]

C.-Y. Juang and J. S.-Y. Chao, /. Phys. Chem., 98, 13506-13512 (1994). Splitting Energies of n Anion States of 1,4-Cyclohexadiene via the Exponent Stabilization Method. [Pg.515]

Moorite Propellant. A series of rocket proplnts submitted to PicArsn for evaluation in 1949. They consisted of an oxidizer (such as K perchlorate) 70, and a cured rubber hydrocarbon plus accelerators, 30%. Although the examined samples proved to possess desirable props for rocket proplnt use, their thermal stability was poor and their press exponent undesirably high. It was concluded that further work was required on the method of prepn to eliminate these defects... [Pg.174]

The purpose of this appendix, in giving detail of the derivation of eqns (1.22)—(1.24), is to demonstrate a method of analysis which will be of particular use in later chapters when we discuss the local stability of a stationary-state solution. We will see here concentrations of different species evolving as the sum of a series of exponential terms which involve first-order rate constants. Later we will see similar sums of exponential terms, where the exponents, although more complicated can also be interpreted as pseudo-first-order rate coefficients. [Pg.28]

J.M. (1996) A new method for assessing the thermal stability of semi-batch processes based on Lyapunov exponents. Chemical Engineering Science, 51 (11), 3089-96. [Pg.116]

Strozzi, F., Alos, M.A. and Zaldivar, J.M. (1994) A method for assessing thermal stability of batch reactors by sensitivity calculation based on Lyapunov exponents experimental verification. Chemical Engineering Science, 49, 5549-61. [Pg.117]

Computational techniques are centrally important at every stage of investigation of nonlinear dynamical systems. We have reviewed the main theoretical and computational tools used in studying these problems among these are bifurcation and stability analysis, numerical techniques for the solution of ordinary differential equations and partial differential equations, continuation methods, coupled lattice and cellular automata methods for the simulation of spatiotemporal phenomena, geometric representations of phase space attractors, and the numerical analysis of experimental data through the reconstruction of phase portraits, including the calculation of correlation dimensions and Lyapunov exponents from the data. [Pg.265]

Stable fixed point of the 3d 2-loop /0-functions, resummed by the Chisholm-Borel method, the corresponding critical exponents and the stability matrix eigenvalues at various values of a. [Pg.135]

The key methods in our presentation of local bifurcations are based on the center manifold theorem and on the invariant foliation technique (see Sec. 5.1. of Part I). The assumption that there are no characteristic exponents to the right of the imaginary axis (or no multipliers outside the unit circle) allows us to conduct a smooth reduction of the system to a very convenient standard form. We use this reduction throughout this book both in the study of local bifurcations on the stability boundaries themselves and in the study of global bifurcations on the route over the stability boundaries (Chap. 12).These... [Pg.11]


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See also in sourсe #XX -- [ Pg.484 , Pg.489 ]




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