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Anthony Scemama 2019-03-07 18:24:38 +01:00
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docs/source/users_guide/natural_orbitals.rst
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@ -18,7 +18,7 @@ Extracting natural orbitals
Once obtained the near |FCI| wave function, one can obtain many Once obtained the near |FCI| wave function, one can obtain many
quantities related to it. One of these quantities are the natural quantities related to it. One of these quantities are the natural
orbitals which have the propertiy of diagonalizing the one-body orbitals which have the property of diagonalizing the one-body
density matrix: density matrix:
.. math:: .. math::

2
man/natural_orbitals.1
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@ -50,7 +50,7 @@ function are invalidated as well.
.sp .sp
Once obtained the near FCI wave function, one can obtain many Once obtained the near FCI wave function, one can obtain many
quantities related to it. One of these quantities are the natural quantities related to it. One of these quantities are the natural
orbitals which have the propertiy of diagonalizing the one\-body orbitals which have the property of diagonalizing the one\-body
density matrix: density matrix:
.INDENT 0.0 .INDENT 0.0
.INDENT 3.5 .INDENT 3.5