2 papers
physics.chem-ph2014
Canonical-ensemble SA-CASSCF strategy for problems with more diabatic than adiabatic states: Charge-bond resonance in monomethine cyanines
Seth Olsen
This paper reviews basic results from a theory of the classical probabilities in state-averaged complete active space self-consistent field wave functions. It is proposed that a ca…
physics.chem-ph2012
An Effective Hamiltonian for Symmetric Diarylmethanes from a Series of Analogous Quantum Chemical Models
Seth Olsen, Ross H. McKenzie
We propose a single effective Hamiltonian to describe the low-energy electronic structure of a series of symmetric cationic diarylmethanes, which are all bridge-substituted derivat…