Self-consistent tight binding model adapted for hydrocarbon systems

DOI10.1080/08927020500044988zbMath1070.81533OpenAlexW2159762451MaRDI QIDQ5312762

D. A. Areshkin, D. W. Brenner, O. A. Shenderova, J. D. Schall

Publication date: 25 August 2005

Published in: Molecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/08927020500044988

zbMATH Keywords

DF-TBFitting eigenvalue spectraFitting electron densities

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Software, source code, etc. for problems pertaining to quantum theory (81-04) Molecular physics (81V55)

Uses Software

• Unnamed Item

Cites Work

• Unnamed Item
• Convergence Acceleration Scheme for Self-consistent Orthogonal-basis-set Electronic Structure Methods

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