[molpro-user] J operator in MATROP module

Piotr Zuchowski pzuch at tiger.chem.uw.edu.pl
Fri Oct 21 10:13:33 BST 2005

  Dear users,

  Is it possible to calculate  the  J operator (the COUL command) using any
  density matrix (in MATROP module),
  or it works only with the   closed-shell HF or CCSD density matrices?
  In particular I want to calculate  Coulomb operator using the CAS-SCF
  density matrix.

  with regards, Piotr Zuchowski

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