Mihály Kállay | CV | Research | Publications | Teaching
Mihály Kállay
Method development in quantum chemistry
- theory and implementation of coupled-cluster and configuration interaction approaches
- analytic derivative techniques
- multi-reference coupled-cluster models
- automated implementation of quantum chemical methods
Applications of quantum chemistry
- highly accurate calculations of molecular properties
- thermochemistry of molecules and radicals
- atmospheric chemistry
- electronic absorption, emission, vibrational, and CD spectroscopy
