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Ci calculation - PowerPoint PPT Presentation

Full-configuration interaction exactly solves the N-electron problem in a given 1-electron basis

Definitive molecular electronic structure Z. Gan and R.J. Harrison Computational Chemical Sciences Group Computer Science and Mathematics Division (harrisonrj@ornl.gov). Full-configuration interaction exactly solves the N-electron problem in a given 1-electron basis

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Ci calculation - PowerPoint PPT Presentation

Full-configuration interaction exactly solves the N-electron problem in a given 1-electron basis