[molpro-user] question about energy scale
Yusuke Nakagawa
yusuke at amo.t.u-tokyo.ac.jp
Tue May 29 08:54:49 BST 2007
Dear molpro user,
I'm challenging to calculate the bond length - energy curve of dimer with bond length being some nm scale, but using the 'merge' command, the curve is calculated to be flat.
I want to call into account long range interaction between two atoms,
and display the results more minutely.
Is there any command which calculates the long range interaction such as dipole-dipole interaction? Can the result be displayed to the order of 10^(-10) or under?
Thank you in advance.
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Yusuke Nakagawa
Department of Applied Physics,School of Engineering, The University of Tokyo
Hongo 7-3-1, Bunkyo-ku, Tokyo 113-8656, JAPAN
phone:+81 (0)3-5841-6847
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