Hi all,
I will be giving group meeting on Monday, March 21 at 2:30 p.m. in the
Amdur Room.
I will present work to date on sticky electrons. The plan is to review
(briefly) some commonly used definitions of atomic charges (Mulliken,
RESP, Hirshfeld, etc.) and why none of these are entirely adequate,
thus motivating our study of a different atomic charge scheme. A
derivation of the working equations and preliminary numerical results
will be presented.
Thanks in advance to Xin who will be providing nibbles. :)
Thanks,
· Jiahao Chen · MIT Chemistry ·
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