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Chemistry Theses and Dissertations

Theses and Dissertations for the Chemistry department.

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Achieving High Accuracy with Low Cost: Successful Applications of Auxiliary Field Quantum Monte Carlo to Weakly-Bound Molecules and Strongly Correlated Materials

Description:
The accurate evaluation of quantum mechanical properties of molecules and materials becomes more challenging when highly accurate descriptions of electron correlation are required. Different flavors …
Year:
2019
Contributor:
Hao, Hongxia (creator)
Rubenstein, Brenda (Advisor)
Peterson, Andrew (Reader)
Marston, Brad (Reader)
Brown University. Department of Chemistry (sponsor)
Genre:
theses
Subject:
AFQMC
strongly-correlated material
dipole-bound anion
Collection:
Chemistry
Theses and Dissertations
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