Quick Navigation

Overview Topics Abstract Importance Paper Tools References Reactions Discussion Publication Related

Topics

Open Quantum Systems Decoherence Quantum Simulation Entanglement Theory Quantum Correlations Quantum State Preparation Representation

A density-matrix derivation of the Hartree--Fock equations in a nonorthogonal atomic-orbital basis

arXiv
Authors: Thomas Kjærgaard

Year

2026

Paper ID

59911

Status

Preprint

Abstract Read

~2 min

Abstract Words

87

Citations

N/A

Abstract

We present a pedagogical derivation of the Hartree--Fock equations using the second-quantization atomic-orbital density-matrix formalism developed by Kjærgaard, Jørgensen, Olsen, Coriani, and Helgaker for AO-based response theory. The purpose is to introduce an alternative derivation of the Hartree--Fock equation, showing that the standard AO Hartree--Fock stationarity condition follows naturally from the exponential parametrization of the one-particle density matrix in a nonorthogonal AO basis. This route provides a compact bridge between elementary Hartree--Fock theory and the density-matrix machinery used in modern response theory and linear-scaling formulations.

Why This Paper Matters

  • This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
  • It adds a 2026 reference point for readers tracking recent quantum research.
  • We present a pedagogical derivation of the Hartree--Fock equations using the second-quantization atomic-orbital density-matrix formalism developed by Kjærgaard, Jørgensen...

Paper Tools

Become a member to use research tools

Sign in to open papers, visit source links, share, cite, compare, copy DOI links, request category corrections, and build your reading list.

Become a member Sign in
Show Paper arXiv Publisher Share Cite This Paper Copy URL Compare Copy DOI Add to Reading List Category Correction Request

References & Citation Signals

[1] DOI https://doi.org/arXiv:2605.03761 [2] arXiv https://arxiv.org/abs/2605.03761 [3] Publisher https://arxiv.org/abs/2605.03761

Local Citation Graph (Related-Paper Links)

Current Paper #59911 #73579 QR-SPPS: Quantum-Native Retail ... #73578 Intelligence-Guided Adaptive Pu... #73576 Number Fluctuations and Entangl... #73571 Gaussian Reformulation of the F...

External citation index: OpenAlex citation signal

Community Reactions

Quick sentiment from readers on this paper.

Score: 0
Likes: 0 Dislikes: 0

Sign in to react to this paper.

Discussion & Reviews (Moderated)

Average Rating: 0.0 / 5 (0 ratings)

No written reviews yet.