Purdue University Graduate School
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PARTITION DENSITY FUNCTIONAL THEORY: THEORY AND IMPLEMENTATION

thesis
posted on 2024-07-18, 20:34 authored by Yuming ShiYuming Shi

Theoretical development and implementation of Partition Density Functional Theory, a quantum density embedding framework for electronic structure simulation.

History

Degree Type

  • Doctor of Philosophy

Department

  • Physics and Astronomy

Campus location

  • West Lafayette

Advisor/Supervisor/Committee Chair

Adam Wasserman

Advisor/Supervisor/Committee co-chair

Jukka Vayrynen

Additional Committee Member 2

Yuli Lyanda-Geller

Additional Committee Member 3

Jonathan Hood

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