Welcome to Cheng Group! We are a theory group working on electronic structure theories with applications to chemistry and spectroscopy.

Our method-development work consists of

(1) relativistic quantum chemistry to relate the non-relativistic world (Schroedinger equation) with the relativistic world (Dirac equation),

(2) new methods to enhance our capabilities for treating electronically excited states.

We use the new computational methods to solve problems that cannot be solved before. We are actively working on

(a) chemistry and spectroscopy of early actinides,

(b) X-ray spectroscopy and dynamics,

(c) Spin-vibronic structures of metal-containing molecules.