Quantum chemistry, Sobolev spaces and SCF

DOI10.1023/A:1018892326762zbMath0996.81528OpenAlexW2297038137MaRDI QIDQ5934321

Ramon Carbó-Dorca, Emili Besalú, Albert Bach, Lluis Amat, Robert Ponec

Publication date: 19 June 2001

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

Full work available at URL: https://doi.org/10.1023/a:1018892326762

zbMATH Keywords

Sobolev spaceskinetic energySchrödinger equationextended wavefunctionsgeneralised secular equationsLCAO-MO theoryquantum chemistrySCF theorySobolev transformation

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55)

Related Items (1)

Function extended spaces

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