PC GAMESS/Firefly-related discussion club



Learn how to ask questions correctly


Re^2: Questions on $EFIELD

Fumihito Mohri
qzg00677@nifty.com


Dear Prof. Granovsky
Thank you for your answer.
>1. The units are atomic units.
I obtained conversion factor between a.u. and V/m (conventional unit)

Electric field with 1 atomic units, E(1au), is that is made at the point
where is apart from one unit charge by Bohr radius.

E(1au)=(8.98752E9)x(Q/r^2) [V/m], where Q=1.60218E-19 C, r=0.5291772E-10 m and
8.98752E9=1/(4pi epsilon-zero)

Thus,  E(1au)=5.1422E11 [V/m]

>1.715270E+07 esu/cm**2,
This is from 4.8032E10/(0.5291772E-8)^2.
1 esu = 3.33564E-10 C
1 esu/cm**2 =8.98752E9 x 3.33564E-10/(0.01)**2 = 2.99791E4  V/m
E(1au)=1.71527E7 x 2.99791E4 = 5.1422E11  


[ Previous ] [ Next ] [ Index ]           Sat Mar 14 '09 7:57am
[ Reply ] [ Edit ] [ Delete ]           This message read 1405 times