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fermionic

Journey of a Molecular Detective; David Sherratt

Openness of a Many-fermion Quantum System from the Generalized Pauli Principle

Information about the interaction of a many-electron quantum system with its environment is encoded within the one-electron density matrix (1-RDM).
Journey of a Molecular Detective; David Sherratt

Quasipinning and Extended Hartree-Fock Method based on Generalized Pauli Constraints

It is now known that fermionic natural occupation numbers (NON) do not only obey Pauli’s exclusion principle but are even stronger restricted by the so-called generalized Pauli constraints (GPC).
Journey of a Molecular Detective; David Sherratt

Fermionic Exchange Symmetry: Quantifying its Influence beyond Pauli’s Exclusion Principle

The Pauli exclusion principle has a strong impact on the properties and the behavior of most fermionic quantum systems. Remarkably, even stronger restrictions on fermionic natural occupation numbers follow from the fermionic exchange symmetry.
Journey of a Molecular Detective; David Sherratt

Pinning of Fermionic Occupation Numbers

The Pauli exclusion principle is a constraint on the natural occupation numbers of fermionic states.
Journey of a Molecular Detective; David Sherratt

Calculation Of Generalized Pauli Constraints

In the talk I am planning to explain two different solutions of N-representability problem and then give the algorithm to calculate GPCs.
Journey of a Molecular Detective; David Sherratt

Introduction and Overview of the Reduced Density Matrix Functional Theory

In this presentation, we review the theoretical foundations of RDMFT the most successful approximations and extensions, we assess present-day functionals on applications to molecular and periodic systems and we discuss the challenges and future prospect

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