Charlotte Froese Fischer

Affiliate Professor, FRSC
The Department of Computer Science
University of British Columbia
Room 189, 2366 Main Mall
Vancouver, BC V6T1Z4

Telephone: (604) 822-3061 (CS office)
Fax: (604) 822-5485

     Computational Atomic Structure Group (CompAS, 2016)

Dr. of Technology, Malmo University, Sweden, October 15, 2015.
Ph.D., Mathematical Laboratory, Cambridge University, 1957.
M.A., Applied Mathematics, University of British Columbia, 1954.
B.A., Honours Mathematics and Chemistry, University of British Columbia, 1957.

Curriculum Vitae (a pdf file)



In quantum mechanics, the solution of the wave equation for an electronic system,, determines the properties of the system. As a computational scientist I am interested in using High-Performance Computing methodology for the accurate solution of the wave equations for multi-electron atoms of the periodic table. For light atoms the non-relativistic Hamiltonian usually is adequate and the computatational challenge lies in the singularities associated with the multi-electron nature of the problem, also referred to as the correlation in the motion of the electrons. Correlation is less important for highly ionized atoms, but for such systems a fully relativistic Dirac theory is needed along with Breit and quantum electrodynamic (QED) effects, as well as the nuclear effects. Thus accurate computational methods are needed not only for the prediction of atomic properties but in the development of atomic physics theory, particularly for superheavy elements.

I am a founding member of the Computational Atomic Structure group -- CompAS -- that supports the development of software for the study of a wide range of atomic properties. Of particular interest are energy levels for spectra, ionization energies, isotope effects, transition probabilities and lifetimes.

Recent Review (2016): Advanced multiconfiguration methods for complex atoms: Part I - Energies and wave functions. (with M. R. Godefroid, T. Brage, P. Jonsson, and G. Gaigalas)

Topics of special interest:


The Hartree-Fock Method For Atoms: A numerical approach

Computational Atomic Structure An MCHF Approach (with T. Brage and P. Jonsson)


Reminiscences at the Turn of the Century (a pdf file)

Douglas Rayner Hartree: His life in science and computing