bring master updates to my branch, to find why a FCI test failed #97
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…pha orbitals only! and it consists on taking the original alpha homo orbitals and adding 0.25 of lumo. What I was thinking before???
Added the external electric field potential with the fixed charges. Included the E+A species for the mixed density guess
…les. Inspired on the paper: M. Sadhukhan and F. R. Manby, “ Quantum mechanics of Drude oscillators with full Coulomb interaction,” Phys. Rev. B 94, 115106 ( 2016). 10.1103/physrevb.94.115106 but extended for molecular orbitals instead of atomic orbitals (apparently)
Added two tests for BOA and APMO.
Multipole moment changes and QDO addition
Cleaning old parts.
…ze-extensive correction. See the papers 10.1016/j.chemphys.2007.07.001 and 10.1063/5.0182498
CI merge to master
Selected Configuration Interaction (SCI) methods: - Adaptive Sampling CI (ASCI) Based on 10.1063/1.4955109 It's neccessary to implement an efficient sorting algorithm
Implementation of SCI method
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