Exploration of interlacing and avoided crossings in a manifold of potential energy curves by a Unitary Group Adapted State Specific Multi-Reference Perturbation Theory (UGA-SSMRPT)

Dibyajyoti Chakravarti, Koustav Hazra, Riya Kayal +2

The Unitary Group Adapted State-Specific Multi-Reference Perturbation Theory (UGA-SSMRPT2) developed by Mukherjee et al [J. Comput. Chem. 2015, 36, 670] has successfully realized t…