2 papers
quant-ph2019
Implications of pinned occupation numbers for natural orbital expansions. II: Rigorous derivation and extension to non-fermionic systems
Tomasz Maciążek, Adam Sawicki, David Gross +2
We have explained and comprehensively illustrated in Part I that the generalized Pauli constraints suggest a natural extension of the concept of active spaces. In the present Part…
quant-ph2019
Implications of pinned occupation numbers for natural orbital expansions. I: Generalizing the concept of active spaces
Christian Schilling, Carlos L. Benavides-Riveros, Alexandre Lopes +2
The concept of active spaces simplifies the description of interacting quantum many-body systems by restricting to a neighbourhood of active orbitals around the Fermi level. The re…