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Direct Methods for Solving the Schrödinger Equation

Mostafanejad, Mohammad


The notions of electron correlation and correlation problem arising in the framework of approximate solutions to the Schrödinger equation are presented. Then, we briefly review the original ideas of explicit inclusion of the interelectronic distance, r12, into the wavefunction as a solution to this problem. Exemplifying the efficiency of the explicit correlation for achieving high accuracy, we analyze the Nakatsuji's free-complement (FC) method. We...[Show more]

CollectionsOpen Access Theses
Date published: 2016
Type: Thesis (Masters)
DOI: 10.25911/5d74e6ba211e6


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