Implications of pinned occupation numbers for natural orbital expansions: I. Generalizing the concept of active spaces

Implications of pinned occupation numbers for natural orbital expansions: I. Generalizing the concept of active spaces

The concept of active spaces simplifies the description of interacting quantum many-body systems by restricting to a neighborhood of active orbitals around the Fermi level. The respective wavefunction ansatzes which involve all possible electron configurations of active orbitals can be characterized...

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Bibliographic Details
Main Authors: Christian Schilling, Carlos L Benavides-Riveros, Alexandre Lopes, Tomasz Maciążek, Adam Sawicki
Format: Article
Language:English
Published: IOP Publishing 2020-01-01
Series:New Journal of Physics
Subjects:
selection rules
pinning
fermionic quantum many-body systems
generalized Pauli principle
Online Access:https://doi.org/10.1088/1367-2630/ab64b0

Internet

https://doi.org/10.1088/1367-2630/ab64b0

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