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(numbering refers to publication list)
The electronic structure of molecules and solids in their ground and excited states is investigated with the help of ab initio or DFT methods. Standard programs such as GAUSSIAN, CRYSTAL, and CASTEP are used for this purpose. Examples are:
see [75,80,89,91,99,101,107,111,120,124,126,141].
see [16,19,75,82,91,108,109].
see [57,58,64,84,95,136].
see [130,137].