ALAM, a program for the calculation and expansion of molecular charge densities
β Scribed by Michael A. Morrison
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 978 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
β¦ Synopsis
Title of program: ALAM
a single-configuration molecular-orbital wavefunction that is made up of nucleus-centered Slater-Type-Orbitals (STO's).
Catalogue number: ACZW
The resulting function is expanded in Legendre polynomials in a single-centre coordinate system.
π SIMILAR VOLUMES
## Title of version: SYMMET version 2 Nature of physical problem The group theory is used for the classification of the electron Catalogue number: ABRA states of molecules and the transformation of the matrix eigenvalue problem to a quasidiagonal form. If the p-basis on Program obtainable from: CP
Title of the program: SCHROD dimensional Schrodinger equation Catalogue number: AADV dy(x) +(E-V(x))y(x)=0, Program obtainable from: CPC Program Library, Queen's Uni-where E denotes the eigenvalue parameter and V(x) the potenversity of Belfast, N. Ireland (see application form in this issue) tial. C