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City University of New York (CUNY)

Theses and Dissertations

Computational chemistry

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The Exact Factorization Equations For One- And Two-Level Systems, Bart Rosenzweig Jul 2021

The Exact Factorization Equations For One- And Two-Level Systems, Bart Rosenzweig

Theses and Dissertations

Exact Factorization is a framework for studying quantum many-body problems. This decomposes the wavefunctions of such systems into conditional and marginal components. We derive corresponding evolution equations for molecular systems whose conditional electronic subsystems are described by one or two Born-Oppenheimer levels and develop a program for their mathematical study.