A general program to calculate moments of the electron density distribution and multipolar interactions
β Scribed by K. Strasburger
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 237 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0097-8485
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π SIMILAR VOLUMES
The difference electron density of a molecule is defined as the difference between the total molecular electron density and the superposed atomic densities of the atoms of which the model considered is composed. [3] The experimental difference densities have been averaged over the two independent m
Title of program: OCEP W.F. and STATIC POTENTIAL Nature of the physical problem Catalogue number: ACWO This program calculates in one-centre, expansion (OCE) form the wavefunction for a diatqmic molecule and also the multi-Program obtainable from: CPC Program Library, Queen's polar expansion of its
Title of program: ONE CENTRE STATIC POTENTIAL Method of solution Catalogue number ACZR The original two-centre wave function is assumed to have Program obtainable from: CPC Program Library, Queen's a closed or restricted open-shell representation from a LCAO-University ofBelfast, N. Ireland (see app
The current-density distribution produced inside irregularly shaped, homogeneous human and rat models by low-frequency electric fields is obtained by a two-stage finite-difference procedure. In the first stage the model is assumed to be equipotential. Laplace's equation is solved by iteration in the