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DEVELOPMENT OF DENSITY FUNCTION THEORY (DFT) CODE AND DFT-ON-THE-CHEAP

DEVELOPMENT OF DENSITY FUNCTION THEORY (DFT) CODE AND DFT-ON-THE-CHEAP

PI: Mark Pederson

Sponsor: PACIFIC NORTHWEST NATIONAL LABORATORY

Physics

Amount awarded: $89,998

This project develops a method to treat the multiconfigurational character of open shell systems and deploy the method for both ultra-low-end and high-end computing.

Posting date: Thu, 03/03/2022

Award start date: Wed, 03/02/2022

Award end date: Mon, 09/30/2024

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