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Development and Application of the Variational Two-Electron Reduced Density Matrix Complete Active Space Self-Consistent Field Method to Address the Electron Correlation Problem in Quantum Chemistry
The goal of this dissertation is to describe a series of developments and applications of the variational two-electron reduced density matrix (v2RDM-) complete active space self-consistent field (CASSCF) method to the electron...
This dissertation explores the time-dependent equation-of-motion coupled-cluster (TD-EOM-CC)framework for the accurate calculation of the excited electronic states within molecules, with a focus on lowering the computational cost of the...
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