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The R-Matrix Method for Electron-Molecule Scattering: Theory and Computation,ce we must take proper account of electron correlation and anti-symmetry in this internal region. The problem becomes one of calculating the electronic wave-function of a compound (N+1) particle system and is therefore quite similar to the molecular structure problems treated by quantum chemists. Whdiathermy 发表于 2025-3-22 07:07:51
Polarization Potentials for Electron Scattering, basis sets are required to be large and the scattering wavefunction must be represented over a big region. To avoid the associated computational problems, most electron-molecule scattering calculations using basis functions have been restricted to the single-configuration level, i.e., the static-exGlutinous 发表于 2025-3-22 09:04:13
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Stieltjes-Tchebycheff Moment-Theory Approach to Molecular Photoionization Studies,tions designed to avoid or circumvent the latter aspects of the problem. By contrast, finite point-group and electron-exchange symmetries are integral parts of the computational technology of many-electron L. bound-state electronic structure calculations,. providing considerable motivation to devise画布 发表于 2025-3-22 17:38:36
P. David Pearson,Alison K. Billmane problem. In practice, of course, a finite number of terms must be retained. The accuracy of the method should improve as this number is increased and in fortunate cases some kind of convergence may be obtained. However, in many cases the convergence is very slow and so many equations have to be soGlucocorticoids 发表于 2025-3-22 22:00:22
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Hunger Strike, Lip Sewing and Self-harm, basis sets are required to be large and the scattering wavefunction must be represented over a big region. To avoid the associated computational problems, most electron-molecule scattering calculations using basis functions have been restricted to the single-configuration level, i.e., the static-ex