A calculator program for calculating hydrogen atom coordinates
β Scribed by M. Nardelli
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 841 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0097-8485
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Let J be the total angular momentum quantum number of an N-electron system; let P be the system's parity quantum number; let (nh), or equivalently (nK), be an ordered set of relativistic subshells. The coitesponding complete active space (CAS) is the set of configuration symmetry functions, (I 7jP))
Recursion relations for determining radial matrix elements of r-dependent operators between hydrogenic wavefunctions are derived using a technique based on the hypervirial theorem along with a second quantization formalism. These expressions have been included in the program HYDMATEL, and this code