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quantum_package/plugins/Dressed_Ref_Hamiltonian
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Emmanuel Giner cc71d6f83d Added OVB_effective_Hamiltonian 2016-02-17 12:22:45 +01:00
..
Dressed_Ref_Hamiltonian.main.irp.f Added OVB_effective_Hamiltonian 2016-02-17 12:22:45 +01:00
NEEDED_CHILDREN_MODULES Added OVB_effective_Hamiltonian 2016-02-17 12:22:45 +01:00
README.rst Added OVB_effective_Hamiltonian 2016-02-17 12:22:45 +01:00
dressed_eigenvectors.irp.f Added OVB_effective_Hamiltonian 2016-02-17 12:22:45 +01:00
dressed_hamiltonian.irp.f Added OVB_effective_Hamiltonian 2016-02-17 12:22:45 +01:00
print_CAS_effective_Hamiltonian.irp.f Added OVB_effective_Hamiltonian 2016-02-17 12:22:45 +01:00

README.rst 

=======================
Dressed_Ref_Hamiltonian
=======================
The following modules proposes to build an effective Hamiltonian 
spanned on the reference determinants supposed to be the CAS ones. 
The effective matrix Hamiltonian are built using the multi parentage 
proposal used in the MR-CCSD formalism of Giner et. al.  (JCP, 144, 064101 (2016); doi: 10.1063/1.4940781)

Needed Modules
==============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.
Documentation
=============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.