Marcel Nooijen
Born June 2, 1963 in Veghel, The Netherlands
Professor of Chemistry, University of Waterloo, Canada
Email:nooijen@uwaterloo.ca
Web: external link
Medal of the International Academy of Quantum Molecular Science (2003), Member International Academy of Quantum Molecular Science (2016)
Author of:
About 100 scientific articles in journals of chemistry and physics.
Important Contributions:

Coupled Cluster Greenfs Function (PhD): A recursive diagrammatic approach to the single particle Greenfs function without use of the intermediary selfenergy or Dyson equation. The approach provides an alternative take on equation of motion coupled cluster methods for ionization potentials and electron affinities, and FeynmanDyson amplitudes.

Similarity Transformed Equation of Motion Coupled Cluster (STEOMCC) approach to excited states, as well as doubly ionized and doubly attached states. The approach uses a sequence of two manybody similarity transformations (normal ordered exponentials) to approximately decouple primary states of interest from the rest of the Hilbert space.

Construction of diabatic vibronic models, using EOMCC, and their application to simulations of molecular spectroscopy.

Development with Dominika Zgid of spinadapted DMRGSCF approach.

Multireference Equation of Motion Coupled Cluster (MREOMCC). Using a sequence of ManyBody similarity transformations and the use of KutzelniggMukherjee normal ordering for a multiconfiuational reference defines a transformed Hamiltonian. Hundreds of excited states can be obtained from subsequent diagonalization over a compact CAS+1h+1p space. The method is implemented in both the ACESII and ORCA packages using automated computer code generation.

Introduction of generalized extensivity, a conjecture regarding exactness of parameterization using twobody cluster operator, elimination of Coulombic singularities using similarity tranformations, work on generalized Wickfs theorems for multiconfigurational reference.