TY - JOUR
T1 - On the nonexistence of strictly diabatic molecular electronic bases
AU - Kendrick, Brian K.
AU - Alden Mead, C.
AU - Truhlar, Donald G.
PY - 2000/11/17
Y1 - 2000/11/17
N2 - 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.
AB - 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.
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U2 - 10.1016/S0009-2614(00)01140-4
DO - 10.1016/S0009-2614(00)01140-4
M3 - Article
AN - SCOPUS:0001746433
VL - 330
SP - 629
EP - 632
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 5-6
ER -