Molecular interactions with Many-Body Perturbation Theory
Abstract
Very efficient computer codes to perform many body perturbation theory (MBPT) and coupled cluster method (CCM) calculations were written and employed for the first time in large scale ab initio calculations of potential energy surfaces.
- Publication:
-
Final Report Battelle Columbus Labs
- Pub Date:
- September 1981
- Bibcode:
- 1981bclo.reptS....B
- Keywords:
-
- Chemical Lasers;
- Molecular Interactions;
- Perturbation Theory;
- Quantum Chemistry;
- Computer Programs;
- Mechanical Properties;
- Potential Energy;
- Surfaces;
- Lasers and Masers