Title of article :
On the nonexistence of strictly diabatic molecular electronic bases
Author/Authors :
Kendrick، نويسنده , , Brian K and Alden Mead، نويسنده , , C and Truhlar، نويسنده , , Donald G، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2000
Abstract :
In a recent publication (M. Baer, A. Alijah, Chem. Phys. Lett. 319 (2000) 489), it is proposed that, contrary to a number of statements in the literature, it may indeed be possible to construct strictly diabatic electronic basis sets in molecular systems. We show that the result of Baer and Alijah is invalid.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters