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Committee
Bowman, Joel, Emory University
删除限定条件 Committee: Bowman, Joel, Emory University
Degree
M.S.
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Automatic active space selection for the driven similarity renormalization group method
Potential energy surface and applications to carbon dioxide-water, carbon dioxide clat...
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Year
Spring 2018
1
Summer 2018
1
School
Laney Graduate School
2
Department
Chemistry
2
Degree
M.S.
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2
Submission Type
Master's Thesis
2
Research Field
Chemistry, Physical
2
Committee
Bowman, Joel, Emory University
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2
Evangelista, Francesco, Emory University
2
Kindt, James, Emory University
1
Weaver, Susanna L. Widicus, Emory University
1
Keyword
Active Space
1
Driven Similarity Renormalization Group
1
MULTIMODE
1
VCI/VSCF
1
Vibrational spectrum
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