A program to calculate the eigenfunctions of the random phase approximation for two electron systems
β Scribed by M.J. Jamieson; I.H.K. Aldeen
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 462 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
β¦ Synopsis
Title of program: RPA TWO ELECTRON EIGENFUNCTION rect to at least first order in correlation [3]. The eigenfunctions of two electron systems satisfy a pair of second order Catalogue number: AAJD eigenvalue differential equations coupled by an integral term. These eigenfunctions, characterized by a principal quantum Program obtainable from: CPC Program Library, Queen's number n and an angular momentum quantum number 1, are University of Belfast, Belfast, N. Ireland (see application form evaluated by the program. The user need only specify n,l and in this issue) supply data for a Hartree-Fock ground state orbital.
π SIMILAR VOLUMES
A previously described method for the evaluation of multi-centre integrah using gaussian function expansions of orbital products is rigorously tested. The ground state of the permarqanate ion was studied by an ab iaitio SCP MO ulculetion using a minimal basis set of contracted geussian functions of
Franck-Condon factors and the R-centroids for a diatomic molecule [1-3].
Invasive fungal infections have increasingly become a matter of concern with regard to patients receiving intensive myelosuppressive therapy for hematologic malignancies. Such infections, especially prolonged neutropenia systemic fungal infections, may contribute substantially to infectious complica