Spin-unrestricted formalism for a partially restricted Hartree--Fock approach

DOI10.1023/A:1015486430744zbMath0997.81616OpenAlexW2041230924MaRDI QIDQ1610771

V. N. Glushkov

Publication date: 20 August 2002

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1023/a:1015486430744

zbMATH Keywords

orthogonality constraintsmolecular orbitalselectron correlation effectspartially restricted wave functionsingle Slater determinantunrestricted Møller-Plesset perturbation theories

Mathematics Subject Classification ID

Perturbation theories for operators and differential equations in quantum theory (81Q15) Molecular physics (81V55)

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