[molpro-user] Partitioning total energy.

SIMIL THOMAS simil at postech.ac.kr
Wed Oct 23 07:55:39 BST 2013

Dear molpro users,

In the molpro output, I can see one-electron energy, two-electron energy,
and correlation energy. One-electron energy is sum of single particle
kinetic energy
and electron-nuclear interaction energy.
Let me know how to separate it out ?

with regards
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