Broken-symmetry Hartree-Fock solutions in the RHF wavefunction of dicyclobutadienenickel
Author/Authors :
Jaworska، نويسنده , , Maria and Lodowski، نويسنده , , Piotr and Nowakowski، نويسنده , , Janusz، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1995
Pages :
7
From page :
328
To page :
334
Abstract :
Hartree-Fock calculations were performed for dicyclobutadienenickel (NiCb2). The RHF wavefunction is unstable for this molecule. Two axial spin density wave solutions were found.
