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Fragment Localized Kohn-Sham orbitals

Beyond Two-Body Interaction Fragment-Localized Kohn-Sham Orbitals via a Singles-CI Procedure... [Pg.141]

Method Fragment-Localized Kohn-Sham Orbitals... [Pg.141]

Reinhardt P, Piquemal J-P, Savin A (2008) Fragment-localized Kohn-Sham orbitals via a Singles-CI procedure and application to local properties and intermolecular energy decomposition analysis. J Chem Theory Comput 4 2020... [Pg.169]

See other pages where Fragment Localized Kohn-Sham orbitals is mentioned: [Pg.137] [Pg.139] [Pg.141] [Pg.315] [Pg.137] [Pg.139] [Pg.141] [Pg.315] [Pg.34] [Pg.148]

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Beyond Two-Body Interaction Fragment-Localized Kohn-Sham Orbitals via a Singles-CI Procedure

Kohn

Kohn orbitals

Kohn-Sham

Kohn-Sham orbital

Kohn-Sham orbitals

Local orbitals

Localized orbitals

Orbital localization

Orbital localized

Shams