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The Treatment of Diradical Systems and Molecular Optimizations with Two-Electron Reduced Density Matrices
Valentine, Andrew J S
2017
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Title
The Treatment of Diradical Systems and Molecular Optimizations with Two-Electron Reduced Density Matrices
Author
Valentine, Andrew J S : University of Chicago
Degree Type
Ph.D.
Content Type
Dissertation
Academic Advisor
David A. Mazziotti
Keywords
2-RDM
;
analytical gradient
;
molecular optimization
Identifier(s)
DOI:
https://doi.org/10.6082/M18W3BDX
Publication Date
2017
Language
English
Licensing
University of Chicago dissertations are covered by copyright.
Record Appears in
Physical Sciences Division
>
Chemistry
All
Record Created
2017-10-20
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