Published October 1980
| Version v1
Journal article
Electron scattering by closed open shell diatomic molecules
Description
An extension of the existing low-energy electron diatomic scattering program to open-shell molecular targets is presented. In this version, the orthogonalisation between bound and continuum orbitals is introduced. The K matrix elements and the eigen-phases for rotational excitation are evaluated. The final continuum wave function is also calculated and stored on file. (orig./HSI)
Additional details
Publishing Information
- Journal Title
- Comput. Phys. Commun.
- Journal Volume
- 20
- Journal Issue
- 2
- Series
- Comput. Phys. Commun.
- Journal Page Range
- 275-289
- ISSN
- 0010-4655
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- Netherlands
- INIS RN
- 12597425
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- CROSS SECTIONS; DIFFERENTIAL EQUATIONS; E CODES; ELASTIC SCATTERING; ELECTRON-MOLECULE COLLISIONS; ELECTRONS; EXCITATION; FORTRAN; HARTREE-FOCK METHOD; INTEGRAL EQUATIONS; K MATRIX; LCAO METHOD; MATRIX ELEMENTS; MOLECULAR ORBITAL METHOD; MOLECULES; NUMERICAL SOLUTION; SELF-CONSISTENT FIELD; SERIES EXPANSION; WAVE FUNCTIONS
- Descriptors DEC
- COLLISIONS; COMPUTER CODES; ELECTRON COLLISIONS; ELEMENTARY PARTICLES; ENERGY-LEVEL TRANSITIONS; EQUATIONS; FERMIONS; FUNCTIONS; LEPTONS; MATRICES; MOLECULE COLLISIONS; PROGRAMMING LANGUAGES; SCATTERING