Andrew M Sand
5PUBLICATIONS
8CO-AUTHORS
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Publications (5)
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|Sep 23, 2021
A multiconfiguration pair-density functional theory-based approach to molecular junctions.Andrew M Sand, Justin T Malme, Erik P Hoy
|Feb 20, 2021
Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states.Thais R Scott, Meagan S Oakley, Matthew R Hermes
|Jul 10, 2020
Analytic gradients for state-averaged multiconfiguration pair-density functional theory.Thais R Scott, Matthew R Hermes, Andrew M Sand
|Jul 16, 2018
State-interaction pair-density functional theory.Andrew M Sand, Chad E Hoyer, Donald G Truhlar
|Jan 23, 2017
Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferrocene.Andrew M Sand, Donald G Truhlar, Laura Gagliardi
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