Fortran 90 implementation of the Hartree-Fock approach within the CNDO/2 and INDO models

DOI10.1016/J.CPC.2008.11.004zbMath1198.81042arXiv0812.3690OpenAlexW1981039770MaRDI QIDQ603319

Sridhar Sahu, Alok Kumar Shukla

Publication date: 6 November 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/0812.3690

zbMATH Keywords

Hartree-Fock methodmolecular orbitals\texttt{cindo.x}CNDO/INDO modelsself-consistent field approach

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Computational methods for problems pertaining to quantum theory (81-08)

Related Items (2)

Investigation of the Optical Properties of CdSe/ZnS Core/Shell Quantum Dot Embedded in an MEH-PPV Polymer Matrix ⋮ cindo.x

Uses Software

• GAUSSIAN

Cites Work

• Unnamed Item

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