Computer code

There exist several SCF codes for the solution of radial equations the Hartree-Fock [16] equations are only one example, and the case described above is that of the single configuration approximation, in which each electron has well-defined values of n and l. There exist several other possibilities as stressed above, in Hartree s original method, the exchange term was left out in the Hartree-Slater method [17], an approximate expression is used for the form of the exchange term. The Cowan code [20] is a pseudorelativistic SCF method, which avoids the complete four-component wavefunctions by simulating relativistic effects. 

Full Dirac-Fock calculations are often performed using the GRASP code [18]. Exact criteria for the optimisation procedure depend somewhat on the accuracy required (for further details, see [15]. 

In the 0-Hartree method [19] the Dirac equation is also used as the starting point, but the Lagrangian of quantum field theory is made stationary by altering the balance of direct and exchange terms in a very specific way. Like Hartree s original theory without exchange, this method is consistent with the fundamental principles of quantum field theory (the Hartree-Fock method is not), and allows the central field to be further 

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Hutson J M and Green S 1994 MOLSCAT computer code, version 14, distributed by Collaborative Computational Project No 6 of the Engineering and Physical Sciences Research Council (UK)... 

A comprehensive introduction to the field, covering statistical mechanics, basic Monte Carlo, and molecular dynamics methods, plus some advanced techniques, including computer code. 

A wide variety of procedures have been developed to evaluate the performance of explosives. These include experimental methods as well as calculations based on available energy of the explosives and the reactions that take place on initiation. Both experimental and calculational procedures utilize electronic instmmentation and computer codes to provide estimates of performance in the laboratory and the field. 

Computer codes are used for the calculational procedures which provide highly detailed data, eg, the Ruby code (70). Rapid, short-form methods yielding very good first approximations, such as the Kamlet equations, are also available (71—74). Both modeling approaches show good agreement with experimental data obtained ia measures of performance. A comparison of calculated and experimental explosive detonation velocities is shown ia Table 5. 

To convert MPa to kilobars, multiply by 0.01. Ruby computer code used (70). 

S. M. Ah, "An Updated Version of Computer Code CORA II for Estimation of Corrosion Product Mass and Activity Migration ia PWR Primary Circuits and Related Experimental Loops," Eourth International Conference on Water Chemistry of Nuclear Systems, Bournemouth, U.K., Oct. 1986, pp. 107-109. 

S. B. Watson md R. H. Rmney, Modfcations of the SEPHIS Computer Code for Calculating the Purex Solvent Extraction System, ORNL/TM-5123, Oak Ridge National Laboratory, Oak Ridge, Term., 1975. 

Calculations are for Z = 60 daughter nuclide. Values are from computer code that calculates values from relations in Ref 4. 

The half-hves, y-ray energies, and y-ray emission probabiUties given ia Table 15 are what is needed if the amount of a radioisotope present ia a sample is to be measured. However, there are other uses of radionucHdes where additional data concerning the decay are needed. If a radionucHde is to be iajected or implanted in vivo it is necessary to have data on all of the radiations produced to be able to assess the impact on the ceU stmcture. Table 16 gives samples of the data that can be useful ia this latter case. Such information can be obtained from some of the references above. There are also computer codes that can use the decay data from the ENSDF database to produce this type of information for any radionucHde, eg, RAD LIST (21). 

This method of optimization is known as the generalized reduced-gradient (GRG) method. The objective function and the constraints are linearized ia a piecewise fashioa so that a series of straight-line segments are used to approximate them. Many computer codes are available for these methods. Two widely used ones are GRGA code (49) and GRG2 code (50). 

Initially, Q a.ndb are not known and the calculation proceeds as follows b contains / unknown coefficients and Q another / (/ -t- I)/2. To estimate b and Q, the computer code is used repeatedly, getting / equations each time—namely... 

Many computer codes, both public and private, are available to model dense cloud dispersion. A detailed review of these codes, and how they perform relative to actual field test data, is available (Hanna, Chang, and Strimaitis, Atmospheric Environment, vol. 27A, no. 15, 1993, pp. 2265-2285). An interesting result of this review is that a simple nomograph method developed by Britter and McQuaid (1988) matches the available data as well as any of the computer codes. This method will be presented here. 

Equilibrium combustion product compositions and properties may be readily calculated using thermochemical computer codes which minimize the Gibbs free energy and use thermodynamic databases... 

Shahinpoor, M., H.S. Lausen, J.L. Wise, J.R. Asay, C.H. Konrad, and R.D. Harday (1985), Ballistics Computer Code Manupulation for Optimal Design and Operation of Two-Stage Light Gas Guns, SNL—Solid Dynamics Department, Quarterly Report, October 1985. 

Seaman, L., SRIPUFF 3 Computer Code for Stress Wave Propagation, Air Force Weapons Laboratory Technical Report No. AFWL-TR-70-51, Kirtland AFB, NM, 370 pp., September 1970. 

Increasing the number of segments, m, increases the accuracy and using the computer code for m = 1000 gives the answer R = 0.990274. 

Some of the features of GO (EPRI NP-3123) are given in Table 3.4.6-2. A GO model is networks GO operators to represent a system. It can be constructed from engineering drawings by replacing system elements (valves, switches, etc.) with one or more GO symbols. The GO computer code quantifies the GO model for system reliability, availability, identification of system fault sequences, and relative importance in rank of the constituent elements. 

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