Dumbell—A program to calculate the structure and thermodynamics of a classical fluid of hard, homonuclear diatomic molecules
✍ Scribed by F. Lado
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 513 KB
- Volume
- 39
- Category
- Article
- ISSN
- 0010-4655
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📜 SIMILAR VOLUMES
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
Title of program: DBLSIG2 Nature of physical problem Calculation of hyperfine structure (magnetic and electric Catalogue number: AAFY quadrupole) in the rotational spectrum of open shell doublet sigma ground state diatomic molecules arising from nuclear Program obtainable from: CPC Program Library,
A new program has recently been implemented with the aim of extending quasi-particle (QP) band structure calculations to polymers with larger unit cells. The theoretical background is briefly reviewed and the new algorithm described, which has been optimized for machines with vector processors. To i