Utrecht University:Debye Institute:Theoretical Chemistry Group  

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Present:
Developing and implementing Atoms in Valence Bond approach.
Understanding the molecular VB wave function in terms of proper atomic wave function, by
constructing the VB wave function from atoms in their different atomic states.
Implementation into TURTLE (GAMESS-UK) for row 1,2 and 3 atoms of periodic table.


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Last Modified: September, 2010 / Marcin Zielinski