Engineering topics
Publications and source records attributed to Green, S..
To test the accuracy of the Gordon-Kim theory of intermolecular forces, predicted and experimental values are compared for Ar-HCl. The method appears to accurately predict the short-range repulsive forces and also the position (but possibly not the depth) of the potential well.
Oscillator strengths for the X/1 Sigma+/ - A/1 Pi/ system of CH+ computed to an estimated accuracy of 10 percent from ab initio wave functions are presented. These oscillator strength values are given for the two strongest interstellar lines of 4232 and 3957 A.
Previous accurate dipole moment calculation techniques are modified to be applicable to higher excited states of symmetry. The self-consistent fields and configuration interactions are calculated for the X(2)Sigma(+) and B(2)Sigma(+) states of CN. Spin hyperfine constants and spin density at the nucleus are considered in the context of one-electron operator properties. The values of the self-consistent field and configuration interaction for the spin density are compared with experimental values for several diatomic molecules.
The theory of basis set dependence in configuration interaction calculations is discussed, taking into account a perturbation model which is valid for small changes in the self-consistent field orbitals. It is found that basis set corrections are essentially additive through first order. It is shown that an error found in a previously published dipole moment calculation by Green (1972) for the metastable first excited state of CO was indeed due to an inadequate basis set as claimed.
Computer program synthesizes a passive network by minimizing the difference in desired and actual frequency response. The program solves for the critical points of the error function /weighted least squares fit between calculated and desired frequency response/ by the multivariable Newton-Raphson method with components constrained to an admissible region.