Code
G085817N
Duration
01 January 2017 → 31 December 2020
Funding
Research Foundation - Flanders (FWO)
Promotor
Research disciplines
-
Natural sciences
- Atomic and molecular physics
- Physical chemistry
- Theoretical and computational chemistry
- Other chemical sciences
Keywords
quantum chemistry
geminals
electronic structure
Project description
In this proposal, geminals methods will be extended that they can be applied to molecules that require proper treatment of degeneracies, relativistic effects, open-shell and excited state electronic structures while still giving highly accurate results, all in a limited timeframe.