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quantum_package/plugins/eginer/Dressed_Ref_Hamiltonian
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Anthony Scemama ff37982d15 A lot of cleaning
2018-10-19 17:08:38 +02:00
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dressed_eigenvectors.irp.f Cleaning plugins 2018-10-19 11:32:58 +02:00
dressed_hamiltonian.irp.f Cleaning plugins 2018-10-19 11:32:58 +02:00
Dressed_Ref_Hamiltonian.main.irp.f Cleaning plugins 2018-10-19 11:32:58 +02:00
NEED A lot of cleaning 2018-10-19 17:08:38 +02:00
print_CAS_effective_Hamiltonian.irp.f Cleaning plugins 2018-10-19 11:32:58 +02:00
README.rst Cleaning plugins 2018-10-19 11:32:58 +02:00

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.