Subject: Polarisability in MOPAC

From: "Hr. Dr. S. Shapiro" <[email-masked]>
Date: Mon, 04 Nov 1996 10:10:45 +0100

Dear Colleagues;

        Using MNDO with MOPAC 6.0, I obtained an E4 average alpha polaris-
ability value for phenol of 11.261823 cubic Angstoms.  According to the in-
formation available to me, the E4 value is derived from the effect of the
applied electric field (electric field gradient of 0.001) on the heat of
formation.  

        Is the "electric field gradient of 0.001" abbreviated 

                          "del E = 0.001"?

        Also, what are the units/dimensions of the value "0.001"?

        Thanks in advance to all responders.

Sincerely,

S. Shapiro
ZH, CH
[email-masked]