I am a theoretical physicist by training and have worked in the field of atomic and molecular physics for the duration of my career. The main tools I use to do my research are quantum chemistry and numerical methods. In particular I have been mainly involved in
calculating Hartree-Fock-limit properties of atoms, diatomic molecules and their ions, in particular multipole polarizabilities and hyperpolarizabilities by means of the finite difference Hartree-Fock metod and the finite field metod; assisting in calibrating basis sets supporting microhartree or even nanohartree accuracy of total energy
developing finite difference 2-dimensional Hartree-Fock metod for atoms and diatomic (see README and ChangeLog); the latest version of the x2dhf program is available (under GPL) at Git Hub (the previous versions can be found here).
accounting for relativistic efects in atoms and molecules via quasi-relativistic potentials; the modified nonrelativistic Hartree-Fock program of Froese-Fischer for atoms with various quasi-relativistic potentials included is available (under GPL) at qrhf
developing second-order Dirac-Fock method for diatomic molecules
accounting for correlation effects in diatomics via the configuration interaction method and numerical molecular orbital basis set
As computer systems and networks play an essential role in carring my research I have acquired over the years some expertise as a system and network administrator (mainly Unix/Linux) and a fair knowledge of the internals of the Unix-like and GNU/Linux operating systems.
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