<div dir="ltr">Hi Molpro users,<br clear="all"><div><pre>I would like to know if it is possible to calculate "Dyson" Orbitals
using MOLPRO ?<br></pre><pre> A Dyson orbital is defined as the overlap between the Ground State
wave function of a N-electrons system and the wavefunction of an
ionic state (N-1 electrons state). This overlap between wave
functions differing by one electron (N and N-1 respectively) thus
give a one electron function. <br><br></pre><pre>Can any one help me, How to do it. <br><br></pre><pre>Thanks in advance <br></pre><div class="gmail_signature"><div dir="ltr">Satyam Ravi<div>Research Scholar</div><div>Department of Chemical Sciences</div><div>Indian Institute of Science Education and Research Mohali</div><div>Punjab, India</div></div></div>
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