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images/marcel2.jpg Department:Theoretical Chemistry
Room: ESC 330B
Extension: 37708
Email: nooijen@uwaterloo.ca


Our long term goal is to develop accurate wave function based electronic structure methods that are applicable to general open-shell systems, in particular transition metal compounds. The electronic structure technique should be coupled to an efficient scheme to describe non-adiabatic nuclear dynamics such that one can make direct comparisons with experimental results.

Recent publications

  • Kong. L.G., Nooijen, M., and Mukherjee, D., An algebraic proof of generalized Wick theorem, J.Chem. Phys. 132, 234107, 2010.
  • Huntington, L.M.J. and Nooijen, M., pCCSD: parameterized coupled-cluster theory with single and double excitations, J. Chem. Phys. 133, 184109, 2010.
  • Nooijen, M., Explorations of many-body relativistic wave equations within a one-dimensional model, Can. J. Chem. 87, 1499-1511, 2009.
  • Huntington, L.M. and Nooijen, M. An SO(4) Invariant Hamiltonian and the two-body Bond State. I: Coulomb interaction between two spinless particles, Int. J. Quantum Chem. 109, 2885-2896, 2009.